USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 793 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 47 SER OG : rot 171:sc= 1.03 USER MOD Set 1.2: A 98 GLN : amide:sc= -2.55 K(o=-1.5,f=-5!) USER MOD Single : A 1 MET CE :methyl 167:sc= -0.0132 (180deg=-0.323) USER MOD Single : A 1 MET N :NH3+ -162:sc= -0.0114 (180deg=-0.252) USER MOD Single : A 2 ASN : amide:sc=-0.00788 X(o=-0.0079,f=0) USER MOD Single : A 4 SER OG : rot 180:sc=0.000926 USER MOD Single : A 7 HIS : no HE2:sc= -1.47 K(o=-1.5,f=-2.4!) USER MOD Single : A 12 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.16) USER MOD Single : A 16 THR OG1 : rot 76:sc= 1.35 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot -47:sc= 0.168 USER MOD Single : A 35 ASN : amide:sc= -0.0752 X(o=-0.075,f=0) USER MOD Single : A 40 THR OG1 : rot 142:sc= 0.917 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0.337 K(o=0.34,f=-1.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0.638 K(o=0.64,f=-4.5!) USER MOD Single : A 54 GLN : amide:sc= 0.0808 X(o=0.081,f=-0.038) USER MOD Single : A 58 HIS :FLIP no HE2:sc= 0.118 F(o=-2.1!,f=0.12) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 20:sc= 0.355 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= 0.656 K(o=0.66,f=-2.6!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot 94:sc= -0.0309 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 170:sc= 1.23 USER MOD Single : A 93 GLN : amide:sc= 0.102 X(o=0.1,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.0922 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.113 -18.760 -14.114 1.00 1.00 N ATOM 2 CA MET A 1 7.272 -19.893 -13.666 1.00 1.00 C ATOM 3 C MET A 1 6.717 -19.633 -12.308 1.00 1.00 C ATOM 4 O MET A 1 7.208 -20.149 -11.306 1.00 1.00 O ATOM 5 CB MET A 1 8.083 -21.199 -13.697 1.00 1.00 C ATOM 6 CG MET A 1 8.454 -21.670 -15.104 1.00 1.00 C ATOM 7 SD MET A 1 9.669 -23.022 -15.156 1.00 1.00 S ATOM 8 CE MET A 1 8.648 -24.290 -14.349 1.00 1.00 C ATOM 0 H1 MET A 1 8.238 -18.807 -15.145 1.00 1.00 H new ATOM 0 H2 MET A 1 7.650 -17.863 -13.862 1.00 1.00 H new ATOM 0 H3 MET A 1 9.042 -18.813 -13.650 1.00 1.00 H new ATOM 0 HA MET A 1 6.431 -19.998 -14.351 1.00 1.00 H new ATOM 0 HB2 MET A 1 8.997 -21.061 -13.119 1.00 1.00 H new ATOM 0 HB3 MET A 1 7.509 -21.983 -13.203 1.00 1.00 H new ATOM 0 HG2 MET A 1 7.547 -21.994 -15.615 1.00 1.00 H new ATOM 0 HG3 MET A 1 8.849 -20.822 -15.664 1.00 1.00 H new ATOM 0 HE1 MET A 1 9.111 -25.268 -14.481 1.00 1.00 H new ATOM 0 HE2 MET A 1 8.566 -24.068 -13.285 1.00 1.00 H new ATOM 0 HE3 MET A 1 7.654 -24.296 -14.796 1.00 1.00 H new ATOM 17 N ASN A 2 5.657 -18.807 -12.223 1.00 1.00 N ATOM 18 CA ASN A 2 4.990 -18.393 -11.028 1.00 1.00 C ATOM 19 C ASN A 2 5.821 -17.536 -10.135 1.00 1.00 C ATOM 20 O ASN A 2 5.751 -16.310 -10.209 1.00 1.00 O ATOM 21 CB ASN A 2 4.315 -19.519 -10.229 1.00 1.00 C ATOM 22 CG ASN A 2 3.407 -20.388 -11.087 1.00 1.00 C ATOM 23 OD1 ASN A 2 3.568 -21.606 -11.126 1.00 1.00 O ATOM 24 ND2 ASN A 2 2.416 -19.773 -11.786 1.00 1.00 N ATOM 0 H ASN A 2 5.235 -18.398 -13.057 1.00 1.00 H new ATOM 0 HA ASN A 2 4.182 -17.775 -11.419 1.00 1.00 H new ATOM 0 HB2 ASN A 2 5.082 -20.144 -9.771 1.00 1.00 H new ATOM 0 HB3 ASN A 2 3.732 -19.083 -9.417 1.00 1.00 H new ATOM 0 HD21 ASN A 2 1.781 -20.325 -12.363 1.00 1.00 H new ATOM 0 HD22 ASN A 2 2.308 -18.760 -11.733 1.00 1.00 H new ATOM 31 N ASP A 3 6.652 -18.150 -9.276 1.00 1.00 N ATOM 32 CA ASP A 3 7.438 -17.547 -8.242 1.00 1.00 C ATOM 33 C ASP A 3 8.365 -16.496 -8.747 1.00 1.00 C ATOM 34 O ASP A 3 8.422 -15.378 -8.239 1.00 1.00 O ATOM 35 CB ASP A 3 8.213 -18.671 -7.535 1.00 1.00 C ATOM 36 CG ASP A 3 8.274 -18.444 -6.031 1.00 1.00 C ATOM 37 OD1 ASP A 3 7.224 -18.653 -5.366 1.00 1.00 O ATOM 38 OD2 ASP A 3 9.365 -18.112 -5.495 1.00 1.00 O ATOM 0 H ASP A 3 6.786 -19.161 -9.308 1.00 1.00 H new ATOM 0 HA ASP A 3 6.772 -17.032 -7.549 1.00 1.00 H new ATOM 0 HB2 ASP A 3 7.736 -19.629 -7.741 1.00 1.00 H new ATOM 0 HB3 ASP A 3 9.225 -18.726 -7.937 1.00 1.00 H new ATOM 43 N SER A 4 9.103 -16.810 -9.827 1.00 1.00 N ATOM 44 CA SER A 4 10.007 -15.933 -10.505 1.00 1.00 C ATOM 45 C SER A 4 9.353 -14.709 -11.052 1.00 1.00 C ATOM 46 O SER A 4 9.866 -13.598 -10.930 1.00 1.00 O ATOM 47 CB SER A 4 10.693 -16.638 -11.687 1.00 1.00 C ATOM 48 OG SER A 4 11.215 -17.898 -11.290 1.00 1.00 O ATOM 0 H SER A 4 9.065 -17.736 -10.253 1.00 1.00 H new ATOM 0 HA SER A 4 10.728 -15.643 -9.741 1.00 1.00 H new ATOM 0 HB2 SER A 4 9.978 -16.775 -12.499 1.00 1.00 H new ATOM 0 HB3 SER A 4 11.497 -16.011 -12.073 1.00 1.00 H new ATOM 0 HG SER A 4 11.645 -18.330 -12.057 1.00 1.00 H new ATOM 54 N GLU A 5 8.163 -14.879 -11.654 1.00 1.00 N ATOM 55 CA GLU A 5 7.393 -13.838 -12.262 1.00 1.00 C ATOM 56 C GLU A 5 6.814 -12.915 -11.246 1.00 1.00 C ATOM 57 O GLU A 5 6.935 -11.696 -11.355 1.00 1.00 O ATOM 58 CB GLU A 5 6.290 -14.449 -13.143 1.00 1.00 C ATOM 59 CG GLU A 5 5.876 -13.585 -14.337 1.00 1.00 C ATOM 60 CD GLU A 5 6.891 -13.610 -15.471 1.00 1.00 C ATOM 61 OE1 GLU A 5 7.469 -14.695 -15.749 1.00 1.00 O ATOM 62 OE2 GLU A 5 7.090 -12.565 -16.145 1.00 1.00 O ATOM 0 H GLU A 5 7.714 -15.792 -11.720 1.00 1.00 H new ATOM 0 HA GLU A 5 8.059 -13.245 -12.889 1.00 1.00 H new ATOM 0 HB2 GLU A 5 6.632 -15.416 -13.512 1.00 1.00 H new ATOM 0 HB3 GLU A 5 5.412 -14.636 -12.525 1.00 1.00 H new ATOM 0 HG2 GLU A 5 4.913 -13.931 -14.712 1.00 1.00 H new ATOM 0 HG3 GLU A 5 5.738 -12.557 -14.003 1.00 1.00 H new ATOM 69 N PHE A 6 6.213 -13.465 -10.174 1.00 1.00 N ATOM 70 CA PHE A 6 5.843 -12.776 -8.978 1.00 1.00 C ATOM 71 C PHE A 6 6.930 -11.956 -8.372 1.00 1.00 C ATOM 72 O PHE A 6 6.749 -10.754 -8.190 1.00 1.00 O ATOM 73 CB PHE A 6 5.272 -13.749 -7.933 1.00 1.00 C ATOM 74 CG PHE A 6 4.367 -13.079 -6.958 1.00 1.00 C ATOM 75 CD1 PHE A 6 3.319 -12.317 -7.413 1.00 1.00 C ATOM 76 CD2 PHE A 6 4.537 -13.228 -5.601 1.00 1.00 C ATOM 77 CE1 PHE A 6 2.462 -11.694 -6.535 1.00 1.00 C ATOM 78 CE2 PHE A 6 3.675 -12.626 -4.714 1.00 1.00 C ATOM 79 CZ PHE A 6 2.636 -11.856 -5.181 1.00 1.00 C ATOM 0 H PHE A 6 5.971 -14.455 -10.143 1.00 1.00 H new ATOM 0 HA PHE A 6 5.072 -12.071 -9.289 1.00 1.00 H new ATOM 0 HB2 PHE A 6 4.727 -14.544 -8.442 1.00 1.00 H new ATOM 0 HB3 PHE A 6 6.094 -14.221 -7.395 1.00 1.00 H new ATOM 0 HD1 PHE A 6 3.165 -12.205 -8.476 1.00 1.00 H new ATOM 0 HD2 PHE A 6 5.356 -13.824 -5.228 1.00 1.00 H new ATOM 0 HE1 PHE A 6 1.656 -11.080 -6.908 1.00 1.00 H new ATOM 0 HE2 PHE A 6 3.814 -12.758 -3.651 1.00 1.00 H new ATOM 0 HZ PHE A 6 1.959 -11.380 -4.487 1.00 1.00 H new ATOM 89 N HIS A 7 8.113 -12.523 -8.077 1.00 1.00 N ATOM 90 CA HIS A 7 9.213 -11.795 -7.525 1.00 1.00 C ATOM 91 C HIS A 7 9.711 -10.661 -8.353 1.00 1.00 C ATOM 92 O HIS A 7 9.892 -9.560 -7.837 1.00 1.00 O ATOM 93 CB HIS A 7 10.385 -12.720 -7.150 1.00 1.00 C ATOM 94 CG HIS A 7 10.005 -13.554 -5.965 1.00 1.00 C ATOM 95 ND1 HIS A 7 10.177 -14.909 -5.863 1.00 1.00 N ATOM 96 CD2 HIS A 7 9.364 -13.157 -4.832 1.00 1.00 C ATOM 97 CE1 HIS A 7 9.645 -15.324 -4.728 1.00 1.00 C ATOM 98 NE2 HIS A 7 9.155 -14.283 -4.080 1.00 1.00 N ATOM 0 H HIS A 7 8.310 -13.513 -8.226 1.00 1.00 H new ATOM 0 HA HIS A 7 8.793 -11.346 -6.625 1.00 1.00 H new ATOM 0 HB2 HIS A 7 10.639 -13.362 -7.993 1.00 1.00 H new ATOM 0 HB3 HIS A 7 11.271 -12.128 -6.922 1.00 1.00 H new ATOM 0 HD1 HIS A 7 10.641 -15.501 -6.552 1.00 1.00 H new ATOM 0 HD2 HIS A 7 9.076 -12.148 -4.575 1.00 1.00 H new ATOM 0 HE1 HIS A 7 9.615 -16.348 -4.386 1.00 1.00 H new ATOM 106 N ARG A 8 9.884 -10.856 -9.673 1.00 1.00 N ATOM 107 CA ARG A 8 10.222 -9.809 -10.587 1.00 1.00 C ATOM 108 C ARG A 8 9.254 -8.676 -10.571 1.00 1.00 C ATOM 109 O ARG A 8 9.633 -7.534 -10.314 1.00 1.00 O ATOM 110 CB ARG A 8 10.374 -10.336 -12.023 1.00 1.00 C ATOM 111 CG ARG A 8 11.701 -11.059 -12.263 1.00 1.00 C ATOM 112 CD ARG A 8 11.839 -11.702 -13.646 1.00 1.00 C ATOM 113 NE ARG A 8 11.686 -10.646 -14.686 1.00 1.00 N ATOM 114 CZ ARG A 8 12.675 -9.819 -15.133 1.00 1.00 C ATOM 115 NH1 ARG A 8 13.992 -10.003 -14.823 1.00 1.00 N ATOM 116 NH2 ARG A 8 12.347 -8.768 -15.940 1.00 1.00 N ATOM 0 H ARG A 8 9.786 -11.769 -10.117 1.00 1.00 H new ATOM 0 HA ARG A 8 11.182 -9.425 -10.240 1.00 1.00 H new ATOM 0 HB2 ARG A 8 9.552 -11.017 -12.242 1.00 1.00 H new ATOM 0 HB3 ARG A 8 10.291 -9.502 -12.720 1.00 1.00 H new ATOM 0 HG2 ARG A 8 12.516 -10.349 -12.125 1.00 1.00 H new ATOM 0 HG3 ARG A 8 11.820 -11.832 -11.504 1.00 1.00 H new ATOM 0 HD2 ARG A 8 12.811 -12.187 -13.741 1.00 1.00 H new ATOM 0 HD3 ARG A 8 11.082 -12.475 -13.780 1.00 1.00 H new ATOM 0 HE ARG A 8 10.761 -10.531 -15.100 1.00 1.00 H new ATOM 0 HH11 ARG A 8 14.272 -10.786 -14.233 1.00 1.00 H new ATOM 0 HH12 ARG A 8 14.695 -9.357 -15.182 1.00 1.00 H new ATOM 0 HH21 ARG A 8 11.374 -8.610 -16.201 1.00 1.00 H new ATOM 0 HH22 ARG A 8 13.075 -8.141 -16.282 1.00 1.00 H new ATOM 130 N LEU A 9 7.958 -8.949 -10.807 1.00 1.00 N ATOM 131 CA LEU A 9 6.916 -7.970 -10.842 1.00 1.00 C ATOM 132 C LEU A 9 6.639 -7.309 -9.535 1.00 1.00 C ATOM 133 O LEU A 9 6.433 -6.098 -9.497 1.00 1.00 O ATOM 134 CB LEU A 9 5.624 -8.597 -11.391 1.00 1.00 C ATOM 135 CG LEU A 9 5.663 -8.919 -12.893 1.00 1.00 C ATOM 136 CD1 LEU A 9 4.435 -9.744 -13.309 1.00 1.00 C ATOM 137 CD2 LEU A 9 5.742 -7.650 -13.759 1.00 1.00 C ATOM 0 H LEU A 9 7.621 -9.896 -10.981 1.00 1.00 H new ATOM 0 HA LEU A 9 7.277 -7.182 -11.503 1.00 1.00 H new ATOM 0 HB2 LEU A 9 5.417 -9.515 -10.840 1.00 1.00 H new ATOM 0 HB3 LEU A 9 4.794 -7.917 -11.199 1.00 1.00 H new ATOM 0 HG LEU A 9 6.569 -9.502 -13.061 1.00 1.00 H new ATOM 0 HD11 LEU A 9 4.486 -9.959 -14.376 1.00 1.00 H new ATOM 0 HD12 LEU A 9 4.419 -10.680 -12.751 1.00 1.00 H new ATOM 0 HD13 LEU A 9 3.528 -9.179 -13.096 1.00 1.00 H new ATOM 0 HD21 LEU A 9 5.767 -7.929 -14.812 1.00 1.00 H new ATOM 0 HD22 LEU A 9 4.869 -7.026 -13.570 1.00 1.00 H new ATOM 0 HD23 LEU A 9 6.646 -7.095 -13.509 1.00 1.00 H new ATOM 149 N ALA A 10 6.641 -8.045 -8.409 1.00 1.00 N ATOM 150 CA ALA A 10 6.421 -7.529 -7.094 1.00 1.00 C ATOM 151 C ALA A 10 7.456 -6.548 -6.663 1.00 1.00 C ATOM 152 O ALA A 10 7.128 -5.447 -6.223 1.00 1.00 O ATOM 153 CB ALA A 10 6.313 -8.663 -6.060 1.00 1.00 C ATOM 0 H ALA A 10 6.805 -9.052 -8.417 1.00 1.00 H new ATOM 0 HA ALA A 10 5.473 -6.994 -7.145 1.00 1.00 H new ATOM 0 HB1 ALA A 10 6.146 -8.238 -5.070 1.00 1.00 H new ATOM 0 HB2 ALA A 10 5.479 -9.315 -6.321 1.00 1.00 H new ATOM 0 HB3 ALA A 10 7.237 -9.241 -6.056 1.00 1.00 H new ATOM 159 N ASP A 11 8.754 -6.868 -6.824 1.00 1.00 N ATOM 160 CA ASP A 11 9.814 -5.958 -6.522 1.00 1.00 C ATOM 161 C ASP A 11 9.838 -4.771 -7.421 1.00 1.00 C ATOM 162 O ASP A 11 10.089 -3.647 -6.988 1.00 1.00 O ATOM 163 CB ASP A 11 11.157 -6.706 -6.563 1.00 1.00 C ATOM 164 CG ASP A 11 11.385 -7.591 -5.345 1.00 1.00 C ATOM 165 OD1 ASP A 11 10.502 -7.734 -4.457 1.00 1.00 O ATOM 166 OD2 ASP A 11 12.515 -8.142 -5.260 1.00 1.00 O ATOM 0 H ASP A 11 9.071 -7.774 -7.170 1.00 1.00 H new ATOM 0 HA ASP A 11 9.638 -5.569 -5.519 1.00 1.00 H new ATOM 0 HB2 ASP A 11 11.197 -7.319 -7.463 1.00 1.00 H new ATOM 0 HB3 ASP A 11 11.968 -5.981 -6.635 1.00 1.00 H new ATOM 171 N GLN A 12 9.508 -4.938 -8.715 1.00 1.00 N ATOM 172 CA GLN A 12 9.307 -3.838 -9.606 1.00 1.00 C ATOM 173 C GLN A 12 8.194 -2.921 -9.228 1.00 1.00 C ATOM 174 O GLN A 12 8.369 -1.704 -9.246 1.00 1.00 O ATOM 175 CB GLN A 12 9.104 -4.296 -11.060 1.00 1.00 C ATOM 176 CG GLN A 12 10.385 -4.785 -11.739 1.00 1.00 C ATOM 177 CD GLN A 12 11.442 -3.697 -11.859 1.00 1.00 C ATOM 178 OE1 GLN A 12 12.546 -3.828 -11.331 1.00 1.00 O ATOM 179 NE2 GLN A 12 11.106 -2.592 -12.576 1.00 1.00 N ATOM 0 H GLN A 12 9.379 -5.852 -9.149 1.00 1.00 H new ATOM 0 HA GLN A 12 10.234 -3.270 -9.520 1.00 1.00 H new ATOM 0 HB2 GLN A 12 8.366 -5.097 -11.079 1.00 1.00 H new ATOM 0 HB3 GLN A 12 8.691 -3.469 -11.637 1.00 1.00 H new ATOM 0 HG2 GLN A 12 10.794 -5.622 -11.173 1.00 1.00 H new ATOM 0 HG3 GLN A 12 10.143 -5.161 -12.733 1.00 1.00 H new ATOM 0 HE21 GLN A 12 10.181 -2.520 -12.999 1.00 1.00 H new ATOM 0 HE22 GLN A 12 11.779 -1.835 -12.691 1.00 1.00 H new ATOM 188 N LEU A 13 6.998 -3.422 -8.871 1.00 1.00 N ATOM 189 CA LEU A 13 5.881 -2.609 -8.502 1.00 1.00 C ATOM 190 C LEU A 13 6.030 -1.911 -7.194 1.00 1.00 C ATOM 191 O LEU A 13 5.667 -0.743 -7.063 1.00 1.00 O ATOM 192 CB LEU A 13 4.573 -3.406 -8.640 1.00 1.00 C ATOM 193 CG LEU A 13 4.087 -4.340 -7.517 1.00 1.00 C ATOM 194 CD1 LEU A 13 3.193 -3.589 -6.516 1.00 1.00 C ATOM 195 CD2 LEU A 13 3.286 -5.508 -8.115 1.00 1.00 C ATOM 0 H LEU A 13 6.802 -4.422 -8.838 1.00 1.00 H new ATOM 0 HA LEU A 13 5.840 -1.782 -9.211 1.00 1.00 H new ATOM 0 HB2 LEU A 13 3.777 -2.683 -8.820 1.00 1.00 H new ATOM 0 HB3 LEU A 13 4.663 -4.012 -9.542 1.00 1.00 H new ATOM 0 HG LEU A 13 4.967 -4.715 -6.994 1.00 1.00 H new ATOM 0 HD11 LEU A 13 2.865 -4.275 -5.735 1.00 1.00 H new ATOM 0 HD12 LEU A 13 3.757 -2.771 -6.068 1.00 1.00 H new ATOM 0 HD13 LEU A 13 2.322 -3.188 -7.035 1.00 1.00 H new ATOM 0 HD21 LEU A 13 2.946 -6.164 -7.314 1.00 1.00 H new ATOM 0 HD22 LEU A 13 2.423 -5.119 -8.656 1.00 1.00 H new ATOM 0 HD23 LEU A 13 3.920 -6.071 -8.800 1.00 1.00 H new ATOM 207 N TRP A 14 6.653 -2.581 -6.207 1.00 1.00 N ATOM 208 CA TRP A 14 7.207 -2.049 -5.001 1.00 1.00 C ATOM 209 C TRP A 14 7.980 -0.796 -5.235 1.00 1.00 C ATOM 210 O TRP A 14 7.635 0.283 -4.757 1.00 1.00 O ATOM 211 CB TRP A 14 8.158 -3.058 -4.335 1.00 1.00 C ATOM 212 CG TRP A 14 7.689 -3.965 -3.222 1.00 1.00 C ATOM 213 CD1 TRP A 14 8.497 -4.464 -2.241 1.00 1.00 C ATOM 214 CD2 TRP A 14 6.374 -4.483 -2.954 1.00 1.00 C ATOM 215 NE1 TRP A 14 7.777 -5.244 -1.376 1.00 1.00 N ATOM 216 CE2 TRP A 14 6.466 -5.260 -1.793 1.00 1.00 C ATOM 217 CE3 TRP A 14 5.172 -4.341 -3.593 1.00 1.00 C ATOM 218 CZ2 TRP A 14 5.366 -5.881 -1.268 1.00 1.00 C ATOM 219 CZ3 TRP A 14 4.073 -4.979 -3.068 1.00 1.00 C ATOM 220 CH2 TRP A 14 4.166 -5.733 -1.922 1.00 1.00 C ATOM 0 H TRP A 14 6.779 -3.592 -6.262 1.00 1.00 H new ATOM 0 HA TRP A 14 6.355 -1.836 -4.356 1.00 1.00 H new ATOM 0 HB2 TRP A 14 8.544 -3.700 -5.127 1.00 1.00 H new ATOM 0 HB3 TRP A 14 9.003 -2.489 -3.946 1.00 1.00 H new ATOM 0 HD1 TRP A 14 9.556 -4.270 -2.159 1.00 1.00 H new ATOM 0 HE1 TRP A 14 8.150 -5.731 -0.561 1.00 1.00 H new ATOM 0 HE3 TRP A 14 5.089 -3.742 -4.488 1.00 1.00 H new ATOM 0 HZ2 TRP A 14 5.438 -6.470 -0.366 1.00 1.00 H new ATOM 0 HZ3 TRP A 14 3.119 -4.886 -3.565 1.00 1.00 H new ATOM 0 HH2 TRP A 14 3.283 -6.216 -1.530 1.00 1.00 H new ATOM 231 N LEU A 15 9.054 -0.915 -6.034 1.00 1.00 N ATOM 232 CA LEU A 15 9.905 0.167 -6.422 1.00 1.00 C ATOM 233 C LEU A 15 9.194 1.245 -7.165 1.00 1.00 C ATOM 234 O LEU A 15 9.320 2.423 -6.833 1.00 1.00 O ATOM 235 CB LEU A 15 11.077 -0.370 -7.259 1.00 1.00 C ATOM 236 CG LEU A 15 12.143 0.676 -7.628 1.00 1.00 C ATOM 237 CD1 LEU A 15 12.818 1.267 -6.377 1.00 1.00 C ATOM 238 CD2 LEU A 15 13.207 0.070 -8.557 1.00 1.00 C ATOM 0 H LEU A 15 9.344 -1.810 -6.429 1.00 1.00 H new ATOM 0 HA LEU A 15 10.274 0.622 -5.503 1.00 1.00 H new ATOM 0 HB2 LEU A 15 11.558 -1.178 -6.708 1.00 1.00 H new ATOM 0 HB3 LEU A 15 10.680 -0.803 -8.177 1.00 1.00 H new ATOM 0 HG LEU A 15 11.631 1.483 -8.152 1.00 1.00 H new ATOM 0 HD11 LEU A 15 13.565 2.002 -6.679 1.00 1.00 H new ATOM 0 HD12 LEU A 15 12.067 1.749 -5.752 1.00 1.00 H new ATOM 0 HD13 LEU A 15 13.301 0.469 -5.813 1.00 1.00 H new ATOM 0 HD21 LEU A 15 13.949 0.829 -8.804 1.00 1.00 H new ATOM 0 HD22 LEU A 15 13.695 -0.765 -8.055 1.00 1.00 H new ATOM 0 HD23 LEU A 15 12.732 -0.284 -9.472 1.00 1.00 H new ATOM 250 N THR A 16 8.383 0.887 -8.178 1.00 1.00 N ATOM 251 CA THR A 16 7.617 1.780 -8.990 1.00 1.00 C ATOM 252 C THR A 16 6.680 2.640 -8.214 1.00 1.00 C ATOM 253 O THR A 16 6.688 3.859 -8.376 1.00 1.00 O ATOM 254 CB THR A 16 6.818 1.119 -10.074 1.00 1.00 C ATOM 255 OG1 THR A 16 7.626 0.282 -10.888 1.00 1.00 O ATOM 256 CG2 THR A 16 6.223 2.158 -11.040 1.00 1.00 C ATOM 0 H THR A 16 8.255 -0.089 -8.446 1.00 1.00 H new ATOM 0 HA THR A 16 8.397 2.389 -9.447 1.00 1.00 H new ATOM 0 HB THR A 16 6.045 0.550 -9.557 1.00 1.00 H new ATOM 0 HG1 THR A 16 7.827 -0.547 -10.406 1.00 1.00 H new ATOM 0 HG21 THR A 16 5.650 1.648 -11.814 1.00 1.00 H new ATOM 0 HG22 THR A 16 5.569 2.834 -10.489 1.00 1.00 H new ATOM 0 HG23 THR A 16 7.029 2.729 -11.502 1.00 1.00 H new ATOM 264 N ILE A 17 5.843 2.078 -7.323 1.00 1.00 N ATOM 265 CA ILE A 17 4.914 2.820 -6.529 1.00 1.00 C ATOM 266 C ILE A 17 5.612 3.724 -5.571 1.00 1.00 C ATOM 267 O ILE A 17 5.285 4.907 -5.483 1.00 1.00 O ATOM 268 CB ILE A 17 3.906 1.951 -5.838 1.00 1.00 C ATOM 269 CG1 ILE A 17 3.055 1.220 -6.890 1.00 1.00 C ATOM 270 CG2 ILE A 17 2.979 2.790 -4.942 1.00 1.00 C ATOM 271 CD1 ILE A 17 2.082 0.172 -6.354 1.00 1.00 C ATOM 0 H ILE A 17 5.812 1.073 -7.150 1.00 1.00 H new ATOM 0 HA ILE A 17 4.350 3.443 -7.223 1.00 1.00 H new ATOM 0 HB ILE A 17 4.441 1.233 -5.216 1.00 1.00 H new ATOM 0 HG12 ILE A 17 2.486 1.963 -7.448 1.00 1.00 H new ATOM 0 HG13 ILE A 17 3.727 0.735 -7.598 1.00 1.00 H new ATOM 0 HG21 ILE A 17 2.257 2.136 -4.452 1.00 1.00 H new ATOM 0 HG22 ILE A 17 3.572 3.306 -4.187 1.00 1.00 H new ATOM 0 HG23 ILE A 17 2.450 3.523 -5.551 1.00 1.00 H new ATOM 0 HD11 ILE A 17 1.537 -0.277 -7.184 1.00 1.00 H new ATOM 0 HD12 ILE A 17 2.637 -0.602 -5.823 1.00 1.00 H new ATOM 0 HD13 ILE A 17 1.377 0.646 -5.671 1.00 1.00 H new ATOM 283 N GLU A 18 6.647 3.221 -4.873 1.00 1.00 N ATOM 284 CA GLU A 18 7.444 4.005 -3.984 1.00 1.00 C ATOM 285 C GLU A 18 8.073 5.174 -4.661 1.00 1.00 C ATOM 286 O GLU A 18 7.840 6.315 -4.265 1.00 1.00 O ATOM 287 CB GLU A 18 8.537 3.178 -3.285 1.00 1.00 C ATOM 288 CG GLU A 18 9.143 3.852 -2.052 1.00 1.00 C ATOM 289 CD GLU A 18 10.657 4.020 -2.070 1.00 1.00 C ATOM 290 OE1 GLU A 18 11.391 3.227 -2.717 1.00 1.00 O ATOM 291 OE2 GLU A 18 11.131 4.968 -1.392 1.00 1.00 O ATOM 0 H GLU A 18 6.936 2.244 -4.929 1.00 1.00 H new ATOM 0 HA GLU A 18 6.748 4.371 -3.230 1.00 1.00 H new ATOM 0 HB2 GLU A 18 8.116 2.217 -2.990 1.00 1.00 H new ATOM 0 HB3 GLU A 18 9.333 2.971 -4.000 1.00 1.00 H new ATOM 0 HG2 GLU A 18 8.688 4.836 -1.937 1.00 1.00 H new ATOM 0 HG3 GLU A 18 8.871 3.270 -1.171 1.00 1.00 H new ATOM 298 N GLU A 19 8.827 4.951 -5.753 1.00 1.00 N ATOM 299 CA GLU A 19 9.471 5.948 -6.550 1.00 1.00 C ATOM 300 C GLU A 19 8.552 6.965 -7.132 1.00 1.00 C ATOM 301 O GLU A 19 8.782 8.163 -6.980 1.00 1.00 O ATOM 302 CB GLU A 19 10.308 5.307 -7.671 1.00 1.00 C ATOM 303 CG GLU A 19 11.184 6.273 -8.472 1.00 1.00 C ATOM 304 CD GLU A 19 10.610 6.709 -9.814 1.00 1.00 C ATOM 305 OE1 GLU A 19 10.173 5.848 -10.624 1.00 1.00 O ATOM 306 OE2 GLU A 19 10.671 7.926 -10.134 1.00 1.00 O ATOM 0 H GLU A 19 8.997 4.008 -6.102 1.00 1.00 H new ATOM 0 HA GLU A 19 10.119 6.481 -5.855 1.00 1.00 H new ATOM 0 HB2 GLU A 19 10.948 4.543 -7.231 1.00 1.00 H new ATOM 0 HB3 GLU A 19 9.633 4.799 -8.360 1.00 1.00 H new ATOM 0 HG2 GLU A 19 11.365 7.161 -7.867 1.00 1.00 H new ATOM 0 HG3 GLU A 19 12.152 5.802 -8.645 1.00 1.00 H new ATOM 313 N ARG A 20 7.452 6.548 -7.784 1.00 1.00 N ATOM 314 CA ARG A 20 6.494 7.412 -8.400 1.00 1.00 C ATOM 315 C ARG A 20 5.868 8.386 -7.462 1.00 1.00 C ATOM 316 O ARG A 20 5.666 9.549 -7.807 1.00 1.00 O ATOM 317 CB ARG A 20 5.418 6.597 -9.137 1.00 1.00 C ATOM 318 CG ARG A 20 4.559 7.359 -10.148 1.00 1.00 C ATOM 319 CD ARG A 20 5.035 7.347 -11.602 1.00 1.00 C ATOM 320 NE ARG A 20 6.198 8.269 -11.741 1.00 1.00 N ATOM 321 CZ ARG A 20 7.502 7.868 -11.697 1.00 1.00 C ATOM 322 NH1 ARG A 20 7.900 6.582 -11.919 1.00 1.00 N ATOM 323 NH2 ARG A 20 8.422 8.783 -11.274 1.00 1.00 N ATOM 0 H ARG A 20 7.220 5.560 -7.886 1.00 1.00 H new ATOM 0 HA ARG A 20 7.052 8.009 -9.121 1.00 1.00 H new ATOM 0 HB2 ARG A 20 5.909 5.775 -9.658 1.00 1.00 H new ATOM 0 HB3 ARG A 20 4.757 6.153 -8.393 1.00 1.00 H new ATOM 0 HG2 ARG A 20 3.551 6.947 -10.117 1.00 1.00 H new ATOM 0 HG3 ARG A 20 4.489 8.397 -9.821 1.00 1.00 H new ATOM 0 HD2 ARG A 20 5.319 6.337 -11.897 1.00 1.00 H new ATOM 0 HD3 ARG A 20 4.227 7.658 -12.265 1.00 1.00 H new ATOM 0 HE ARG A 20 6.007 9.262 -11.878 1.00 1.00 H new ATOM 0 HH11 ARG A 20 7.208 5.863 -12.131 1.00 1.00 H new ATOM 0 HH12 ARG A 20 8.890 6.339 -11.873 1.00 1.00 H new ATOM 0 HH21 ARG A 20 8.123 9.721 -11.007 1.00 1.00 H new ATOM 0 HH22 ARG A 20 9.409 8.529 -11.225 1.00 1.00 H new ATOM 337 N LEU A 21 5.578 7.957 -6.220 1.00 1.00 N ATOM 338 CA LEU A 21 5.017 8.810 -5.220 1.00 1.00 C ATOM 339 C LEU A 21 6.030 9.582 -4.449 1.00 1.00 C ATOM 340 O LEU A 21 5.838 10.768 -4.182 1.00 1.00 O ATOM 341 CB LEU A 21 4.045 7.967 -4.377 1.00 1.00 C ATOM 342 CG LEU A 21 3.069 8.714 -3.453 1.00 1.00 C ATOM 343 CD1 LEU A 21 2.592 10.081 -3.971 1.00 1.00 C ATOM 344 CD2 LEU A 21 1.826 7.846 -3.198 1.00 1.00 C ATOM 0 H LEU A 21 5.736 7.000 -5.905 1.00 1.00 H new ATOM 0 HA LEU A 21 4.451 9.614 -5.690 1.00 1.00 H new ATOM 0 HB2 LEU A 21 3.458 7.351 -5.058 1.00 1.00 H new ATOM 0 HB3 LEU A 21 4.636 7.288 -3.762 1.00 1.00 H new ATOM 0 HG LEU A 21 3.639 8.904 -2.544 1.00 1.00 H new ATOM 0 HD11 LEU A 21 1.908 10.526 -3.248 1.00 1.00 H new ATOM 0 HD12 LEU A 21 3.451 10.737 -4.110 1.00 1.00 H new ATOM 0 HD13 LEU A 21 2.078 9.950 -4.923 1.00 1.00 H new ATOM 0 HD21 LEU A 21 1.138 8.380 -2.543 1.00 1.00 H new ATOM 0 HD22 LEU A 21 1.332 7.631 -4.145 1.00 1.00 H new ATOM 0 HD23 LEU A 21 2.126 6.911 -2.725 1.00 1.00 H new ATOM 356 N ASP A 22 7.198 9.012 -4.107 1.00 1.00 N ATOM 357 CA ASP A 22 8.302 9.672 -3.483 1.00 1.00 C ATOM 358 C ASP A 22 8.879 10.784 -4.292 1.00 1.00 C ATOM 359 O ASP A 22 9.446 11.739 -3.765 1.00 1.00 O ATOM 360 CB ASP A 22 9.379 8.626 -3.154 1.00 1.00 C ATOM 361 CG ASP A 22 10.546 9.158 -2.333 1.00 1.00 C ATOM 362 OD1 ASP A 22 10.311 9.728 -1.234 1.00 1.00 O ATOM 363 OD2 ASP A 22 11.713 9.014 -2.786 1.00 1.00 O ATOM 0 H ASP A 22 7.383 8.024 -4.278 1.00 1.00 H new ATOM 0 HA ASP A 22 7.927 10.143 -2.574 1.00 1.00 H new ATOM 0 HB2 ASP A 22 8.914 7.803 -2.611 1.00 1.00 H new ATOM 0 HB3 ASP A 22 9.765 8.215 -4.087 1.00 1.00 H new ATOM 368 N ASP A 23 8.743 10.735 -5.630 1.00 1.00 N ATOM 369 CA ASP A 23 9.064 11.780 -6.551 1.00 1.00 C ATOM 370 C ASP A 23 8.310 13.046 -6.336 1.00 1.00 C ATOM 371 O ASP A 23 8.822 14.143 -6.559 1.00 1.00 O ATOM 372 CB ASP A 23 8.737 11.226 -7.948 1.00 1.00 C ATOM 373 CG ASP A 23 9.208 12.122 -9.083 1.00 1.00 C ATOM 374 OD1 ASP A 23 10.449 12.215 -9.288 1.00 1.00 O ATOM 375 OD2 ASP A 23 8.356 12.738 -9.777 1.00 1.00 O ATOM 0 H ASP A 23 8.383 9.904 -6.100 1.00 1.00 H new ATOM 0 HA ASP A 23 10.112 12.048 -6.418 1.00 1.00 H new ATOM 0 HB2 ASP A 23 9.197 10.244 -8.057 1.00 1.00 H new ATOM 0 HB3 ASP A 23 7.659 11.085 -8.031 1.00 1.00 H new ATOM 380 N TRP A 24 7.034 12.943 -5.922 1.00 1.00 N ATOM 381 CA TRP A 24 6.104 14.029 -5.919 1.00 1.00 C ATOM 382 C TRP A 24 6.210 14.887 -4.705 1.00 1.00 C ATOM 383 O TRP A 24 6.376 14.413 -3.584 1.00 1.00 O ATOM 384 CB TRP A 24 4.675 13.490 -6.098 1.00 1.00 C ATOM 385 CG TRP A 24 3.631 14.556 -6.326 1.00 1.00 C ATOM 386 CD1 TRP A 24 3.369 15.278 -7.454 1.00 1.00 C ATOM 387 CD2 TRP A 24 2.771 15.081 -5.297 1.00 1.00 C ATOM 388 NE1 TRP A 24 2.356 16.170 -7.216 1.00 1.00 N ATOM 389 CE2 TRP A 24 1.990 16.077 -5.894 1.00 1.00 C ATOM 390 CE3 TRP A 24 2.637 14.781 -3.968 1.00 1.00 C ATOM 391 CZ2 TRP A 24 1.067 16.771 -5.162 1.00 1.00 C ATOM 392 CZ3 TRP A 24 1.709 15.488 -3.242 1.00 1.00 C ATOM 393 CH2 TRP A 24 0.937 16.462 -3.828 1.00 1.00 C ATOM 0 H TRP A 24 6.635 12.070 -5.576 1.00 1.00 H new ATOM 0 HA TRP A 24 6.355 14.675 -6.760 1.00 1.00 H new ATOM 0 HB2 TRP A 24 4.663 12.800 -6.942 1.00 1.00 H new ATOM 0 HB3 TRP A 24 4.403 12.915 -5.213 1.00 1.00 H new ATOM 0 HD1 TRP A 24 3.884 15.163 -8.396 1.00 1.00 H new ATOM 0 HE1 TRP A 24 1.942 16.798 -7.905 1.00 1.00 H new ATOM 0 HE3 TRP A 24 3.241 14.014 -3.506 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 0.459 17.538 -5.617 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 1.584 15.274 -2.191 1.00 1.00 H new ATOM 0 HH2 TRP A 24 0.214 16.996 -3.229 1.00 1.00 H new ATOM 404 N ASP A 25 6.118 16.216 -4.894 1.00 1.00 N ATOM 405 CA ASP A 25 6.206 17.179 -3.839 1.00 1.00 C ATOM 406 C ASP A 25 5.109 18.175 -3.989 1.00 1.00 C ATOM 407 O ASP A 25 4.897 18.722 -5.071 1.00 1.00 O ATOM 408 CB ASP A 25 7.586 17.853 -3.904 1.00 1.00 C ATOM 409 CG ASP A 25 7.950 18.583 -2.619 1.00 1.00 C ATOM 410 OD1 ASP A 25 7.954 17.938 -1.535 1.00 1.00 O ATOM 411 OD2 ASP A 25 8.278 19.798 -2.690 1.00 1.00 O ATOM 0 H ASP A 25 5.977 16.635 -5.813 1.00 1.00 H new ATOM 0 HA ASP A 25 6.096 16.699 -2.867 1.00 1.00 H new ATOM 0 HB2 ASP A 25 8.344 17.098 -4.114 1.00 1.00 H new ATOM 0 HB3 ASP A 25 7.601 18.559 -4.734 1.00 1.00 H new ATOM 416 N GLY A 26 4.375 18.461 -2.900 1.00 1.00 N ATOM 417 CA GLY A 26 3.326 19.432 -2.863 1.00 1.00 C ATOM 418 C GLY A 26 3.575 20.404 -1.761 1.00 1.00 C ATOM 419 O GLY A 26 4.709 20.787 -1.480 1.00 1.00 O ATOM 0 H GLY A 26 4.519 17.994 -2.004 1.00 1.00 H new ATOM 0 HA2 GLY A 26 3.270 19.957 -3.817 1.00 1.00 H new ATOM 0 HA3 GLY A 26 2.366 18.938 -2.714 1.00 1.00 H new ATOM 423 N ASP A 27 2.510 20.828 -1.057 1.00 1.00 N ATOM 424 CA ASP A 27 2.604 21.513 0.195 1.00 1.00 C ATOM 425 C ASP A 27 2.616 20.513 1.299 1.00 1.00 C ATOM 426 O ASP A 27 3.208 20.724 2.356 1.00 1.00 O ATOM 427 CB ASP A 27 1.417 22.489 0.263 1.00 1.00 C ATOM 428 CG ASP A 27 1.827 23.827 -0.334 1.00 1.00 C ATOM 429 OD1 ASP A 27 2.490 24.626 0.379 1.00 1.00 O ATOM 430 OD2 ASP A 27 1.491 24.104 -1.517 1.00 1.00 O ATOM 0 H ASP A 27 1.549 20.689 -1.371 1.00 1.00 H new ATOM 0 HA ASP A 27 3.526 22.086 0.295 1.00 1.00 H new ATOM 0 HB2 ASP A 27 0.565 22.081 -0.281 1.00 1.00 H new ATOM 0 HB3 ASP A 27 1.100 22.622 1.297 1.00 1.00 H new ATOM 435 N SER A 28 2.015 19.331 1.081 1.00 1.00 N ATOM 436 CA SER A 28 2.180 18.165 1.894 1.00 1.00 C ATOM 437 C SER A 28 3.418 17.414 1.545 1.00 1.00 C ATOM 438 O SER A 28 4.031 17.630 0.501 1.00 1.00 O ATOM 439 CB SER A 28 0.958 17.234 1.807 1.00 1.00 C ATOM 440 OG SER A 28 0.733 16.745 0.492 1.00 1.00 O ATOM 0 H SER A 28 1.381 19.180 0.297 1.00 1.00 H new ATOM 0 HA SER A 28 2.274 18.517 2.921 1.00 1.00 H new ATOM 0 HB2 SER A 28 1.099 16.392 2.484 1.00 1.00 H new ATOM 0 HB3 SER A 28 0.072 17.771 2.147 1.00 1.00 H new ATOM 0 HG SER A 28 -0.052 16.158 0.491 1.00 1.00 H new ATOM 446 N ASP A 29 3.863 16.503 2.430 1.00 1.00 N ATOM 447 CA ASP A 29 5.004 15.664 2.232 1.00 1.00 C ATOM 448 C ASP A 29 4.525 14.252 2.227 1.00 1.00 C ATOM 449 O ASP A 29 3.339 13.985 2.411 1.00 1.00 O ATOM 450 CB ASP A 29 6.062 16.015 3.290 1.00 1.00 C ATOM 451 CG ASP A 29 7.468 15.503 3.007 1.00 1.00 C ATOM 452 OD1 ASP A 29 7.686 14.266 3.118 1.00 1.00 O ATOM 453 OD2 ASP A 29 8.381 16.329 2.743 1.00 1.00 O ATOM 0 H ASP A 29 3.404 16.344 3.327 1.00 1.00 H new ATOM 0 HA ASP A 29 5.504 15.817 1.276 1.00 1.00 H new ATOM 0 HB2 ASP A 29 6.103 17.099 3.392 1.00 1.00 H new ATOM 0 HB3 ASP A 29 5.736 15.617 4.251 1.00 1.00 H new ATOM 458 N ILE A 30 5.416 13.279 1.962 1.00 1.00 N ATOM 459 CA ILE A 30 5.081 11.962 1.520 1.00 1.00 C ATOM 460 C ILE A 30 6.212 11.037 1.811 1.00 1.00 C ATOM 461 O ILE A 30 7.332 11.150 1.318 1.00 1.00 O ATOM 462 CB ILE A 30 4.653 11.951 0.081 1.00 1.00 C ATOM 463 CG1 ILE A 30 4.171 10.575 -0.411 1.00 1.00 C ATOM 464 CG2 ILE A 30 5.724 12.521 -0.864 1.00 1.00 C ATOM 465 CD1 ILE A 30 2.875 10.109 0.249 1.00 1.00 C ATOM 0 H ILE A 30 6.421 13.420 2.062 1.00 1.00 H new ATOM 0 HA ILE A 30 4.214 11.603 2.075 1.00 1.00 H new ATOM 0 HB ILE A 30 3.791 12.617 0.050 1.00 1.00 H new ATOM 0 HG12 ILE A 30 4.025 10.615 -1.490 1.00 1.00 H new ATOM 0 HG13 ILE A 30 4.951 9.837 -0.222 1.00 1.00 H new ATOM 0 HG21 ILE A 30 5.359 12.487 -1.890 1.00 1.00 H new ATOM 0 HG22 ILE A 30 5.940 13.554 -0.589 1.00 1.00 H new ATOM 0 HG23 ILE A 30 6.634 11.927 -0.783 1.00 1.00 H new ATOM 0 HD11 ILE A 30 2.596 9.132 -0.146 1.00 1.00 H new ATOM 0 HD12 ILE A 30 3.021 10.036 1.327 1.00 1.00 H new ATOM 0 HD13 ILE A 30 2.081 10.826 0.038 1.00 1.00 H new ATOM 477 N ASP A 31 5.964 10.075 2.718 1.00 1.00 N ATOM 478 CA ASP A 31 6.948 9.236 3.329 1.00 1.00 C ATOM 479 C ASP A 31 6.526 7.809 3.256 1.00 1.00 C ATOM 480 O ASP A 31 5.684 7.344 4.023 1.00 1.00 O ATOM 481 CB ASP A 31 7.062 9.760 4.771 1.00 1.00 C ATOM 482 CG ASP A 31 8.248 9.223 5.559 1.00 1.00 C ATOM 483 OD1 ASP A 31 9.377 9.151 5.004 1.00 1.00 O ATOM 484 OD2 ASP A 31 8.075 8.919 6.770 1.00 1.00 O ATOM 0 H ASP A 31 5.019 9.871 3.044 1.00 1.00 H new ATOM 0 HA ASP A 31 7.917 9.269 2.831 1.00 1.00 H new ATOM 0 HB2 ASP A 31 7.127 10.848 4.742 1.00 1.00 H new ATOM 0 HB3 ASP A 31 6.146 9.509 5.306 1.00 1.00 H new ATOM 489 N CYS A 32 7.085 7.001 2.337 1.00 1.00 N ATOM 490 CA CYS A 32 6.770 5.609 2.269 1.00 1.00 C ATOM 491 C CYS A 32 7.612 4.801 3.195 1.00 1.00 C ATOM 492 O CYS A 32 8.833 4.939 3.253 1.00 1.00 O ATOM 493 CB CYS A 32 6.930 5.024 0.856 1.00 1.00 C ATOM 494 SG CYS A 32 6.280 3.342 0.616 1.00 1.00 S ATOM 0 H CYS A 32 7.758 7.315 1.638 1.00 1.00 H new ATOM 0 HA CYS A 32 5.722 5.548 2.563 1.00 1.00 H new ATOM 0 HB2 CYS A 32 6.433 5.689 0.150 1.00 1.00 H new ATOM 0 HB3 CYS A 32 7.990 5.023 0.602 1.00 1.00 H new ATOM 0 HG CYS A 32 6.684 2.578 1.587 1.00 1.00 H new ATOM 500 N GLU A 33 6.986 3.862 3.928 1.00 1.00 N ATOM 501 CA GLU A 33 7.665 2.891 4.729 1.00 1.00 C ATOM 502 C GLU A 33 8.056 1.710 3.912 1.00 1.00 C ATOM 503 O GLU A 33 7.264 1.221 3.108 1.00 1.00 O ATOM 504 CB GLU A 33 6.792 2.289 5.844 1.00 1.00 C ATOM 505 CG GLU A 33 6.312 3.292 6.895 1.00 1.00 C ATOM 506 CD GLU A 33 5.729 2.600 8.117 1.00 1.00 C ATOM 507 OE1 GLU A 33 4.588 2.070 8.067 1.00 1.00 O ATOM 508 OE2 GLU A 33 6.422 2.597 9.170 1.00 1.00 O ATOM 0 H GLU A 33 5.970 3.776 3.964 1.00 1.00 H new ATOM 0 HA GLU A 33 8.510 3.439 5.146 1.00 1.00 H new ATOM 0 HB2 GLU A 33 5.922 1.816 5.389 1.00 1.00 H new ATOM 0 HB3 GLU A 33 7.357 1.503 6.344 1.00 1.00 H new ATOM 0 HG2 GLU A 33 7.146 3.925 7.200 1.00 1.00 H new ATOM 0 HG3 GLU A 33 5.559 3.946 6.455 1.00 1.00 H new ATOM 515 N ILE A 34 9.273 1.197 4.170 1.00 1.00 N ATOM 516 CA ILE A 34 9.749 -0.072 3.712 1.00 1.00 C ATOM 517 C ILE A 34 9.866 -0.904 4.941 1.00 1.00 C ATOM 518 O ILE A 34 10.765 -0.730 5.763 1.00 1.00 O ATOM 519 CB ILE A 34 11.086 -0.016 3.036 1.00 1.00 C ATOM 520 CG1 ILE A 34 11.290 1.213 2.133 1.00 1.00 C ATOM 521 CG2 ILE A 34 11.351 -1.336 2.292 1.00 1.00 C ATOM 522 CD1 ILE A 34 10.361 1.329 0.926 1.00 1.00 C ATOM 0 H ILE A 34 9.963 1.697 4.730 1.00 1.00 H new ATOM 0 HA ILE A 34 9.062 -0.466 2.963 1.00 1.00 H new ATOM 0 HB ILE A 34 11.831 0.107 3.822 1.00 1.00 H new ATOM 0 HG12 ILE A 34 11.172 2.109 2.743 1.00 1.00 H new ATOM 0 HG13 ILE A 34 12.319 1.206 1.773 1.00 1.00 H new ATOM 0 HG21 ILE A 34 12.324 -1.289 1.803 1.00 1.00 H new ATOM 0 HG22 ILE A 34 11.342 -2.162 3.003 1.00 1.00 H new ATOM 0 HG23 ILE A 34 10.575 -1.493 1.542 1.00 1.00 H new ATOM 0 HD11 ILE A 34 10.601 2.234 0.368 1.00 1.00 H new ATOM 0 HD12 ILE A 34 10.491 0.460 0.282 1.00 1.00 H new ATOM 0 HD13 ILE A 34 9.327 1.376 1.266 1.00 1.00 H new ATOM 534 N ASN A 35 8.920 -1.844 5.117 1.00 1.00 N ATOM 535 CA ASN A 35 8.799 -2.704 6.254 1.00 1.00 C ATOM 536 C ASN A 35 8.837 -4.114 5.777 1.00 1.00 C ATOM 537 O ASN A 35 7.843 -4.839 5.835 1.00 1.00 O ATOM 538 CB ASN A 35 7.502 -2.344 6.997 1.00 1.00 C ATOM 539 CG ASN A 35 7.288 -3.054 8.325 1.00 1.00 C ATOM 540 OD1 ASN A 35 7.719 -2.615 9.391 1.00 1.00 O ATOM 541 ND2 ASN A 35 6.567 -4.207 8.289 1.00 1.00 N ATOM 0 H ASN A 35 8.194 -2.014 4.421 1.00 1.00 H new ATOM 0 HA ASN A 35 9.619 -2.579 6.961 1.00 1.00 H new ATOM 0 HB2 ASN A 35 7.492 -1.269 7.174 1.00 1.00 H new ATOM 0 HB3 ASN A 35 6.657 -2.567 6.346 1.00 1.00 H new ATOM 0 HD21 ASN A 35 6.378 -4.718 9.152 1.00 1.00 H new ATOM 0 HD22 ASN A 35 6.215 -4.561 7.399 1.00 1.00 H new ATOM 548 N GLY A 36 9.993 -4.579 5.271 1.00 1.00 N ATOM 549 CA GLY A 36 10.205 -5.925 4.839 1.00 1.00 C ATOM 550 C GLY A 36 9.428 -6.357 3.642 1.00 1.00 C ATOM 551 O GLY A 36 9.878 -6.264 2.502 1.00 1.00 O ATOM 0 H GLY A 36 10.817 -3.989 5.158 1.00 1.00 H new ATOM 0 HA2 GLY A 36 11.266 -6.054 4.625 1.00 1.00 H new ATOM 0 HA3 GLY A 36 9.963 -6.593 5.665 1.00 1.00 H new ATOM 555 N GLY A 37 8.209 -6.871 3.878 1.00 1.00 N ATOM 556 CA GLY A 37 7.294 -7.303 2.867 1.00 1.00 C ATOM 557 C GLY A 37 6.062 -6.469 2.804 1.00 1.00 C ATOM 558 O GLY A 37 5.149 -6.776 2.040 1.00 1.00 O ATOM 0 H GLY A 37 7.842 -6.992 4.822 1.00 1.00 H new ATOM 0 HA2 GLY A 37 7.793 -7.278 1.898 1.00 1.00 H new ATOM 0 HA3 GLY A 37 7.015 -8.340 3.056 1.00 1.00 H new ATOM 562 N VAL A 38 5.992 -5.389 3.604 1.00 1.00 N ATOM 563 CA VAL A 38 4.911 -4.454 3.619 1.00 1.00 C ATOM 564 C VAL A 38 5.455 -3.127 3.216 1.00 1.00 C ATOM 565 O VAL A 38 6.472 -2.680 3.745 1.00 1.00 O ATOM 566 CB VAL A 38 4.282 -4.332 4.976 1.00 1.00 C ATOM 567 CG1 VAL A 38 3.049 -3.413 4.935 1.00 1.00 C ATOM 568 CG2 VAL A 38 3.874 -5.722 5.491 1.00 1.00 C ATOM 0 H VAL A 38 6.726 -5.158 4.273 1.00 1.00 H new ATOM 0 HA VAL A 38 4.139 -4.804 2.934 1.00 1.00 H new ATOM 0 HB VAL A 38 5.016 -3.892 5.651 1.00 1.00 H new ATOM 0 HG11 VAL A 38 2.614 -3.343 5.932 1.00 1.00 H new ATOM 0 HG12 VAL A 38 3.347 -2.420 4.599 1.00 1.00 H new ATOM 0 HG13 VAL A 38 2.312 -3.824 4.245 1.00 1.00 H new ATOM 0 HG21 VAL A 38 3.418 -5.626 6.476 1.00 1.00 H new ATOM 0 HG22 VAL A 38 3.158 -6.169 4.802 1.00 1.00 H new ATOM 0 HG23 VAL A 38 4.757 -6.358 5.560 1.00 1.00 H new ATOM 578 N LEU A 39 4.810 -2.426 2.266 1.00 1.00 N ATOM 579 CA LEU A 39 5.068 -1.047 1.992 1.00 1.00 C ATOM 580 C LEU A 39 3.880 -0.258 2.424 1.00 1.00 C ATOM 581 O LEU A 39 2.735 -0.581 2.114 1.00 1.00 O ATOM 582 CB LEU A 39 5.302 -0.806 0.491 1.00 1.00 C ATOM 583 CG LEU A 39 6.549 -1.510 -0.071 1.00 1.00 C ATOM 584 CD1 LEU A 39 6.815 -1.041 -1.511 1.00 1.00 C ATOM 585 CD2 LEU A 39 7.824 -1.271 0.757 1.00 1.00 C ATOM 0 H LEU A 39 4.087 -2.831 1.671 1.00 1.00 H new ATOM 0 HA LEU A 39 5.966 -0.744 2.530 1.00 1.00 H new ATOM 0 HB2 LEU A 39 4.426 -1.146 -0.062 1.00 1.00 H new ATOM 0 HB3 LEU A 39 5.393 0.266 0.316 1.00 1.00 H new ATOM 0 HG LEU A 39 6.327 -2.577 -0.032 1.00 1.00 H new ATOM 0 HD11 LEU A 39 7.700 -1.545 -1.900 1.00 1.00 H new ATOM 0 HD12 LEU A 39 5.956 -1.282 -2.137 1.00 1.00 H new ATOM 0 HD13 LEU A 39 6.979 0.037 -1.518 1.00 1.00 H new ATOM 0 HD21 LEU A 39 8.660 -1.799 0.298 1.00 1.00 H new ATOM 0 HD22 LEU A 39 8.042 -0.204 0.789 1.00 1.00 H new ATOM 0 HD23 LEU A 39 7.674 -1.641 1.771 1.00 1.00 H new ATOM 597 N THR A 40 4.119 0.821 3.189 1.00 1.00 N ATOM 598 CA THR A 40 3.055 1.585 3.764 1.00 1.00 C ATOM 599 C THR A 40 3.305 3.023 3.462 1.00 1.00 C ATOM 600 O THR A 40 4.243 3.656 3.940 1.00 1.00 O ATOM 601 CB THR A 40 2.848 1.389 5.236 1.00 1.00 C ATOM 602 OG1 THR A 40 3.903 0.671 5.862 1.00 1.00 O ATOM 603 CG2 THR A 40 1.586 0.536 5.446 1.00 1.00 C ATOM 0 H THR A 40 5.053 1.166 3.411 1.00 1.00 H new ATOM 0 HA THR A 40 2.130 1.226 3.313 1.00 1.00 H new ATOM 0 HB THR A 40 2.784 2.387 5.671 1.00 1.00 H new ATOM 0 HG1 THR A 40 4.079 1.053 6.747 1.00 1.00 H new ATOM 0 HG21 THR A 40 1.422 0.385 6.513 1.00 1.00 H new ATOM 0 HG22 THR A 40 0.725 1.048 5.016 1.00 1.00 H new ATOM 0 HG23 THR A 40 1.715 -0.430 4.958 1.00 1.00 H new ATOM 611 N ILE A 41 2.445 3.607 2.607 1.00 1.00 N ATOM 612 CA ILE A 41 2.660 4.910 2.057 1.00 1.00 C ATOM 613 C ILE A 41 2.041 5.907 2.977 1.00 1.00 C ATOM 614 O ILE A 41 0.827 5.891 3.174 1.00 1.00 O ATOM 615 CB ILE A 41 2.093 5.022 0.673 1.00 1.00 C ATOM 616 CG1 ILE A 41 2.693 3.952 -0.256 1.00 1.00 C ATOM 617 CG2 ILE A 41 2.325 6.439 0.124 1.00 1.00 C ATOM 618 CD1 ILE A 41 1.966 3.824 -1.595 1.00 1.00 C ATOM 0 H ILE A 41 1.582 3.164 2.291 1.00 1.00 H new ATOM 0 HA ILE A 41 3.730 5.100 1.968 1.00 1.00 H new ATOM 0 HB ILE A 41 1.018 4.845 0.718 1.00 1.00 H new ATOM 0 HG12 ILE A 41 3.740 4.191 -0.442 1.00 1.00 H new ATOM 0 HG13 ILE A 41 2.672 2.988 0.253 1.00 1.00 H new ATOM 0 HG21 ILE A 41 1.910 6.512 -0.881 1.00 1.00 H new ATOM 0 HG22 ILE A 41 1.835 7.165 0.772 1.00 1.00 H new ATOM 0 HG23 ILE A 41 3.395 6.646 0.091 1.00 1.00 H new ATOM 0 HD11 ILE A 41 2.445 3.051 -2.196 1.00 1.00 H new ATOM 0 HD12 ILE A 41 0.925 3.554 -1.419 1.00 1.00 H new ATOM 0 HD13 ILE A 41 2.010 4.775 -2.125 1.00 1.00 H new ATOM 630 N THR A 42 2.860 6.769 3.602 1.00 1.00 N ATOM 631 CA THR A 42 2.402 7.631 4.647 1.00 1.00 C ATOM 632 C THR A 42 2.421 9.057 4.219 1.00 1.00 C ATOM 633 O THR A 42 3.420 9.567 3.715 1.00 1.00 O ATOM 634 CB THR A 42 3.200 7.532 5.914 1.00 1.00 C ATOM 635 OG1 THR A 42 3.455 6.173 6.237 1.00 1.00 O ATOM 636 CG2 THR A 42 2.430 8.128 7.104 1.00 1.00 C ATOM 0 H THR A 42 3.851 6.870 3.381 1.00 1.00 H new ATOM 0 HA THR A 42 1.386 7.292 4.851 1.00 1.00 H new ATOM 0 HB THR A 42 4.127 8.079 5.743 1.00 1.00 H new ATOM 0 HG1 THR A 42 3.978 6.126 7.065 1.00 1.00 H new ATOM 0 HG21 THR A 42 3.033 8.042 8.008 1.00 1.00 H new ATOM 0 HG22 THR A 42 2.216 9.179 6.909 1.00 1.00 H new ATOM 0 HG23 THR A 42 1.494 7.586 7.240 1.00 1.00 H new ATOM 644 N PHE A 43 1.300 9.782 4.395 1.00 1.00 N ATOM 645 CA PHE A 43 1.132 11.131 3.951 1.00 1.00 C ATOM 646 C PHE A 43 0.981 11.991 5.159 1.00 1.00 C ATOM 647 O PHE A 43 0.395 11.583 6.160 1.00 1.00 O ATOM 648 CB PHE A 43 -0.170 11.340 3.162 1.00 1.00 C ATOM 649 CG PHE A 43 -0.470 10.410 2.039 1.00 1.00 C ATOM 650 CD1 PHE A 43 -0.732 9.079 2.272 1.00 1.00 C ATOM 651 CD2 PHE A 43 -0.704 10.904 0.777 1.00 1.00 C ATOM 652 CE1 PHE A 43 -1.247 8.266 1.290 1.00 1.00 C ATOM 653 CE2 PHE A 43 -1.196 10.099 -0.223 1.00 1.00 C ATOM 654 CZ PHE A 43 -1.483 8.781 0.037 1.00 1.00 C ATOM 0 H PHE A 43 0.476 9.411 4.867 1.00 1.00 H new ATOM 0 HA PHE A 43 1.991 11.369 3.323 1.00 1.00 H new ATOM 0 HB2 PHE A 43 -0.999 11.288 3.868 1.00 1.00 H new ATOM 0 HB3 PHE A 43 -0.157 12.353 2.760 1.00 1.00 H new ATOM 0 HD1 PHE A 43 -0.528 8.664 3.248 1.00 1.00 H new ATOM 0 HD2 PHE A 43 -0.498 11.943 0.568 1.00 1.00 H new ATOM 0 HE1 PHE A 43 -1.465 7.230 1.501 1.00 1.00 H new ATOM 0 HE2 PHE A 43 -1.357 10.502 -1.212 1.00 1.00 H new ATOM 0 HZ PHE A 43 -1.892 8.152 -0.740 1.00 1.00 H new ATOM 664 N GLU A 44 1.418 13.263 5.106 1.00 1.00 N ATOM 665 CA GLU A 44 1.248 14.188 6.183 1.00 1.00 C ATOM 666 C GLU A 44 -0.154 14.576 6.505 1.00 1.00 C ATOM 667 O GLU A 44 -0.455 15.013 7.613 1.00 1.00 O ATOM 668 CB GLU A 44 2.084 15.448 5.902 1.00 1.00 C ATOM 669 CG GLU A 44 3.566 15.167 6.154 1.00 1.00 C ATOM 670 CD GLU A 44 4.264 16.329 6.849 1.00 1.00 C ATOM 671 OE1 GLU A 44 4.123 16.450 8.095 1.00 1.00 O ATOM 672 OE2 GLU A 44 4.968 17.120 6.167 1.00 1.00 O ATOM 0 H GLU A 44 1.900 13.656 4.297 1.00 1.00 H new ATOM 0 HA GLU A 44 1.591 13.655 7.070 1.00 1.00 H new ATOM 0 HB2 GLU A 44 1.938 15.768 4.870 1.00 1.00 H new ATOM 0 HB3 GLU A 44 1.748 16.266 6.540 1.00 1.00 H new ATOM 0 HG2 GLU A 44 3.665 14.269 6.764 1.00 1.00 H new ATOM 0 HG3 GLU A 44 4.062 14.963 5.205 1.00 1.00 H new ATOM 679 N ASN A 45 -1.103 14.331 5.583 1.00 1.00 N ATOM 680 CA ASN A 45 -2.504 14.509 5.804 1.00 1.00 C ATOM 681 C ASN A 45 -3.064 13.595 6.839 1.00 1.00 C ATOM 682 O ASN A 45 -4.165 13.819 7.338 1.00 1.00 O ATOM 683 CB ASN A 45 -3.318 14.238 4.527 1.00 1.00 C ATOM 684 CG ASN A 45 -2.963 15.156 3.367 1.00 1.00 C ATOM 685 OD1 ASN A 45 -1.896 15.760 3.271 1.00 1.00 O ATOM 686 ND2 ASN A 45 -3.908 15.234 2.392 1.00 1.00 N ATOM 0 H ASN A 45 -0.884 13.995 4.645 1.00 1.00 H new ATOM 0 HA ASN A 45 -2.589 15.545 6.133 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -3.162 13.204 4.221 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -4.379 14.347 4.753 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -3.738 15.801 1.562 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -4.786 14.725 2.491 1.00 1.00 H new ATOM 693 N GLY A 46 -2.358 12.503 7.181 1.00 1.00 N ATOM 694 CA GLY A 46 -2.797 11.523 8.124 1.00 1.00 C ATOM 695 C GLY A 46 -3.257 10.286 7.436 1.00 1.00 C ATOM 696 O GLY A 46 -3.589 9.278 8.060 1.00 1.00 O ATOM 0 H GLY A 46 -1.442 12.294 6.783 1.00 1.00 H new ATOM 0 HA2 GLY A 46 -1.983 11.281 8.808 1.00 1.00 H new ATOM 0 HA3 GLY A 46 -3.609 11.931 8.726 1.00 1.00 H new ATOM 700 N SER A 47 -3.268 10.345 6.091 1.00 1.00 N ATOM 701 CA SER A 47 -3.653 9.342 5.147 1.00 1.00 C ATOM 702 C SER A 47 -2.656 8.242 5.010 1.00 1.00 C ATOM 703 O SER A 47 -1.518 8.377 5.455 1.00 1.00 O ATOM 704 CB SER A 47 -3.815 10.040 3.785 1.00 1.00 C ATOM 705 OG SER A 47 -4.857 11.004 3.840 1.00 1.00 O ATOM 0 H SER A 47 -2.972 11.197 5.614 1.00 1.00 H new ATOM 0 HA SER A 47 -4.576 8.880 5.498 1.00 1.00 H new ATOM 0 HB2 SER A 47 -2.879 10.523 3.504 1.00 1.00 H new ATOM 0 HB3 SER A 47 -4.036 9.301 3.015 1.00 1.00 H new ATOM 0 HG SER A 47 -4.853 11.538 3.018 1.00 1.00 H new ATOM 711 N LYS A 48 -3.028 7.099 4.407 1.00 1.00 N ATOM 712 CA LYS A 48 -2.227 5.916 4.461 1.00 1.00 C ATOM 713 C LYS A 48 -2.660 4.846 3.522 1.00 1.00 C ATOM 714 O LYS A 48 -3.841 4.503 3.473 1.00 1.00 O ATOM 715 CB LYS A 48 -2.249 5.331 5.883 1.00 1.00 C ATOM 716 CG LYS A 48 -1.160 4.294 6.165 1.00 1.00 C ATOM 717 CD LYS A 48 -1.192 3.887 7.640 1.00 1.00 C ATOM 718 CE LYS A 48 -0.168 2.802 7.981 1.00 1.00 C ATOM 719 NZ LYS A 48 -0.199 2.477 9.424 1.00 1.00 N ATOM 0 H LYS A 48 -3.893 6.994 3.877 1.00 1.00 H new ATOM 0 HA LYS A 48 -1.226 6.231 4.165 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -2.148 6.147 6.598 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -3.222 4.872 6.057 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -1.309 3.418 5.534 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -0.182 4.705 5.914 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -1.003 4.765 8.258 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -2.190 3.529 7.891 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -0.376 1.905 7.398 1.00 1.00 H new ATOM 0 HE3 LYS A 48 0.830 3.139 7.702 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 0.504 1.739 9.629 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 0.023 3.330 9.977 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -1.146 2.134 9.682 1.00 1.00 H new ATOM 733 N ILE A 49 -1.728 4.249 2.758 1.00 1.00 N ATOM 734 CA ILE A 49 -1.964 3.134 1.895 1.00 1.00 C ATOM 735 C ILE A 49 -1.232 1.956 2.438 1.00 1.00 C ATOM 736 O ILE A 49 -0.131 2.112 2.966 1.00 1.00 O ATOM 737 CB ILE A 49 -1.472 3.314 0.488 1.00 1.00 C ATOM 738 CG1 ILE A 49 -1.642 4.752 -0.030 1.00 1.00 C ATOM 739 CG2 ILE A 49 -2.133 2.308 -0.471 1.00 1.00 C ATOM 740 CD1 ILE A 49 -3.083 5.253 -0.122 1.00 1.00 C ATOM 0 H ILE A 49 -0.757 4.562 2.742 1.00 1.00 H new ATOM 0 HA ILE A 49 -3.047 3.014 1.861 1.00 1.00 H new ATOM 0 HB ILE A 49 -0.401 3.115 0.516 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -1.084 5.423 0.623 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -1.189 4.819 -1.019 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -1.755 2.466 -1.481 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -1.900 1.293 -0.151 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -3.213 2.452 -0.462 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -3.089 6.276 -0.498 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -3.648 4.614 -0.800 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -3.541 5.227 0.867 1.00 1.00 H new ATOM 752 N ILE A 50 -1.789 0.738 2.319 1.00 1.00 N ATOM 753 CA ILE A 50 -1.226 -0.483 2.804 1.00 1.00 C ATOM 754 C ILE A 50 -1.008 -1.428 1.671 1.00 1.00 C ATOM 755 O ILE A 50 -1.949 -1.830 0.988 1.00 1.00 O ATOM 756 CB ILE A 50 -2.132 -1.190 3.766 1.00 1.00 C ATOM 757 CG1 ILE A 50 -2.977 -0.255 4.648 1.00 1.00 C ATOM 758 CG2 ILE A 50 -1.343 -2.212 4.603 1.00 1.00 C ATOM 759 CD1 ILE A 50 -2.192 0.569 5.670 1.00 1.00 C ATOM 0 H ILE A 50 -2.687 0.598 1.856 1.00 1.00 H new ATOM 0 HA ILE A 50 -0.296 -0.209 3.303 1.00 1.00 H new ATOM 0 HB ILE A 50 -2.861 -1.723 3.156 1.00 1.00 H new ATOM 0 HG12 ILE A 50 -3.527 0.428 4.001 1.00 1.00 H new ATOM 0 HG13 ILE A 50 -3.716 -0.854 5.180 1.00 1.00 H new ATOM 0 HG21 ILE A 50 -2.019 -2.715 5.295 1.00 1.00 H new ATOM 0 HG22 ILE A 50 -0.887 -2.949 3.942 1.00 1.00 H new ATOM 0 HG23 ILE A 50 -0.564 -1.698 5.166 1.00 1.00 H new ATOM 0 HD11 ILE A 50 -2.880 1.194 6.239 1.00 1.00 H new ATOM 0 HD12 ILE A 50 -1.664 -0.101 6.349 1.00 1.00 H new ATOM 0 HD13 ILE A 50 -1.472 1.202 5.151 1.00 1.00 H new ATOM 771 N ILE A 51 0.244 -1.847 1.415 1.00 1.00 N ATOM 772 CA ILE A 51 0.593 -2.732 0.348 1.00 1.00 C ATOM 773 C ILE A 51 1.373 -3.900 0.845 1.00 1.00 C ATOM 774 O ILE A 51 2.394 -3.773 1.519 1.00 1.00 O ATOM 775 CB ILE A 51 1.332 -2.039 -0.761 1.00 1.00 C ATOM 776 CG1 ILE A 51 0.588 -0.730 -1.072 1.00 1.00 C ATOM 777 CG2 ILE A 51 1.419 -2.973 -1.981 1.00 1.00 C ATOM 778 CD1 ILE A 51 0.962 -0.095 -2.410 1.00 1.00 C ATOM 0 H ILE A 51 1.046 -1.557 1.975 1.00 1.00 H new ATOM 0 HA ILE A 51 -0.347 -3.093 -0.068 1.00 1.00 H new ATOM 0 HB ILE A 51 2.356 -1.798 -0.475 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -0.484 -0.925 -1.063 1.00 1.00 H new ATOM 0 HG13 ILE A 51 0.789 -0.014 -0.275 1.00 1.00 H new ATOM 0 HG21 ILE A 51 1.955 -2.471 -2.786 1.00 1.00 H new ATOM 0 HG22 ILE A 51 1.950 -3.884 -1.705 1.00 1.00 H new ATOM 0 HG23 ILE A 51 0.414 -3.227 -2.317 1.00 1.00 H new ATOM 0 HD11 ILE A 51 0.391 0.823 -2.549 1.00 1.00 H new ATOM 0 HD12 ILE A 51 2.027 0.135 -2.418 1.00 1.00 H new ATOM 0 HD13 ILE A 51 0.735 -0.790 -3.219 1.00 1.00 H new ATOM 790 N ASN A 52 0.882 -5.111 0.523 1.00 1.00 N ATOM 791 CA ASN A 52 1.406 -6.380 0.921 1.00 1.00 C ATOM 792 C ASN A 52 0.845 -7.371 -0.040 1.00 1.00 C ATOM 793 O ASN A 52 -0.065 -7.105 -0.823 1.00 1.00 O ATOM 794 CB ASN A 52 1.039 -6.721 2.374 1.00 1.00 C ATOM 795 CG ASN A 52 1.784 -7.892 2.997 1.00 1.00 C ATOM 796 OD1 ASN A 52 2.673 -8.524 2.428 1.00 1.00 O ATOM 797 ND2 ASN A 52 1.411 -8.190 4.271 1.00 1.00 N ATOM 0 H ASN A 52 0.052 -5.208 -0.062 1.00 1.00 H new ATOM 0 HA ASN A 52 2.496 -6.381 0.897 1.00 1.00 H new ATOM 0 HB2 ASN A 52 1.214 -5.838 2.988 1.00 1.00 H new ATOM 0 HB3 ASN A 52 -0.029 -6.933 2.417 1.00 1.00 H new ATOM 0 HD21 ASN A 52 1.871 -8.950 4.773 1.00 1.00 H new ATOM 0 HD22 ASN A 52 0.672 -7.654 4.725 1.00 1.00 H new ATOM 804 N ARG A 53 1.425 -8.585 -0.031 1.00 1.00 N ATOM 805 CA ARG A 53 1.317 -9.565 -1.067 1.00 1.00 C ATOM 806 C ARG A 53 1.022 -10.911 -0.500 1.00 1.00 C ATOM 807 O ARG A 53 1.446 -11.244 0.605 1.00 1.00 O ATOM 808 CB ARG A 53 2.646 -9.503 -1.840 1.00 1.00 C ATOM 809 CG ARG A 53 3.914 -9.390 -0.993 1.00 1.00 C ATOM 810 CD ARG A 53 5.224 -9.416 -1.781 1.00 1.00 C ATOM 811 NE ARG A 53 5.526 -10.837 -2.115 1.00 1.00 N ATOM 812 CZ ARG A 53 6.727 -11.253 -2.610 1.00 1.00 C ATOM 813 NH1 ARG A 53 7.696 -10.374 -3.002 1.00 1.00 N ATOM 814 NH2 ARG A 53 6.976 -12.593 -2.676 1.00 1.00 N ATOM 0 H ARG A 53 2.004 -8.900 0.747 1.00 1.00 H new ATOM 0 HA ARG A 53 0.485 -9.366 -1.743 1.00 1.00 H new ATOM 0 HB2 ARG A 53 2.725 -10.397 -2.458 1.00 1.00 H new ATOM 0 HB3 ARG A 53 2.609 -8.650 -2.517 1.00 1.00 H new ATOM 0 HG2 ARG A 53 3.870 -8.463 -0.422 1.00 1.00 H new ATOM 0 HG3 ARG A 53 3.925 -10.208 -0.272 1.00 1.00 H new ATOM 0 HD2 ARG A 53 5.135 -8.820 -2.690 1.00 1.00 H new ATOM 0 HD3 ARG A 53 6.032 -8.982 -1.193 1.00 1.00 H new ATOM 0 HE ARG A 53 4.797 -11.534 -1.966 1.00 1.00 H new ATOM 0 HH11 ARG A 53 7.533 -9.370 -2.929 1.00 1.00 H new ATOM 0 HH12 ARG A 53 8.582 -10.722 -3.368 1.00 1.00 H new ATOM 0 HH21 ARG A 53 6.271 -13.259 -2.359 1.00 1.00 H new ATOM 0 HH22 ARG A 53 7.867 -12.929 -3.042 1.00 1.00 H new ATOM 828 N GLN A 54 0.226 -11.733 -1.207 1.00 1.00 N ATOM 829 CA GLN A 54 -0.216 -13.006 -0.730 1.00 1.00 C ATOM 830 C GLN A 54 0.043 -14.105 -1.704 1.00 1.00 C ATOM 831 O GLN A 54 0.900 -14.955 -1.462 1.00 1.00 O ATOM 832 CB GLN A 54 -1.723 -12.934 -0.435 1.00 1.00 C ATOM 833 CG GLN A 54 -2.101 -12.179 0.841 1.00 1.00 C ATOM 834 CD GLN A 54 -1.663 -12.817 2.151 1.00 1.00 C ATOM 835 OE1 GLN A 54 -2.463 -13.389 2.887 1.00 1.00 O ATOM 836 NE2 GLN A 54 -0.360 -12.656 2.508 1.00 1.00 N ATOM 0 H GLN A 54 -0.120 -11.505 -2.139 1.00 1.00 H new ATOM 0 HA GLN A 54 0.349 -13.234 0.174 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -2.220 -12.458 -1.280 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -2.113 -13.950 -0.366 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -1.673 -11.178 0.787 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -3.184 -12.062 0.862 1.00 1.00 H new ATOM 0 HE21 GLN A 54 0.286 -12.177 1.880 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -0.029 -13.014 3.404 1.00 1.00 H new ATOM 845 N GLU A 55 -0.712 -14.172 -2.816 1.00 1.00 N ATOM 846 CA GLU A 55 -0.734 -15.341 -3.638 1.00 1.00 C ATOM 847 C GLU A 55 0.506 -15.499 -4.449 1.00 1.00 C ATOM 848 O GLU A 55 0.780 -14.600 -5.243 1.00 1.00 O ATOM 849 CB GLU A 55 -1.922 -15.384 -4.613 1.00 1.00 C ATOM 850 CG GLU A 55 -3.310 -15.167 -4.004 1.00 1.00 C ATOM 851 CD GLU A 55 -3.775 -16.266 -3.060 1.00 1.00 C ATOM 852 OE1 GLU A 55 -3.709 -17.475 -3.412 1.00 1.00 O ATOM 853 OE2 GLU A 55 -4.294 -15.933 -1.961 1.00 1.00 O ATOM 0 H GLU A 55 -1.309 -13.413 -3.146 1.00 1.00 H new ATOM 0 HA GLU A 55 -0.823 -16.156 -2.919 1.00 1.00 H new ATOM 0 HB2 GLU A 55 -1.763 -14.626 -5.379 1.00 1.00 H new ATOM 0 HB3 GLU A 55 -1.917 -16.351 -5.116 1.00 1.00 H new ATOM 0 HG2 GLU A 55 -3.310 -14.220 -3.464 1.00 1.00 H new ATOM 0 HG3 GLU A 55 -4.035 -15.072 -4.813 1.00 1.00 H new ATOM 860 N PRO A 56 1.273 -16.546 -4.374 1.00 1.00 N ATOM 861 CA PRO A 56 2.532 -16.665 -5.051 1.00 1.00 C ATOM 862 C PRO A 56 2.387 -17.057 -6.481 1.00 1.00 C ATOM 863 O PRO A 56 3.214 -17.791 -7.019 1.00 1.00 O ATOM 864 CB PRO A 56 3.239 -17.751 -4.241 1.00 1.00 C ATOM 865 CG PRO A 56 2.100 -18.714 -3.868 1.00 1.00 C ATOM 866 CD PRO A 56 0.969 -17.718 -3.568 1.00 1.00 C ATOM 0 HA PRO A 56 3.075 -15.721 -5.096 1.00 1.00 H new ATOM 0 HB2 PRO A 56 4.012 -18.250 -4.826 1.00 1.00 H new ATOM 0 HB3 PRO A 56 3.724 -17.340 -3.356 1.00 1.00 H new ATOM 0 HG2 PRO A 56 1.848 -19.392 -4.683 1.00 1.00 H new ATOM 0 HG3 PRO A 56 2.347 -19.332 -3.004 1.00 1.00 H new ATOM 0 HD2 PRO A 56 -0.003 -18.135 -3.830 1.00 1.00 H new ATOM 0 HD3 PRO A 56 0.934 -17.469 -2.507 1.00 1.00 H new ATOM 874 N LEU A 57 1.336 -16.549 -7.148 1.00 1.00 N ATOM 875 CA LEU A 57 1.085 -16.649 -8.553 1.00 1.00 C ATOM 876 C LEU A 57 1.295 -15.266 -9.065 1.00 1.00 C ATOM 877 O LEU A 57 2.428 -14.817 -9.235 1.00 1.00 O ATOM 878 CB LEU A 57 -0.328 -17.159 -8.883 1.00 1.00 C ATOM 879 CG LEU A 57 -0.628 -18.514 -8.221 1.00 1.00 C ATOM 880 CD1 LEU A 57 -2.106 -18.913 -8.379 1.00 1.00 C ATOM 881 CD2 LEU A 57 0.292 -19.654 -8.691 1.00 1.00 C ATOM 0 H LEU A 57 0.604 -16.027 -6.666 1.00 1.00 H new ATOM 0 HA LEU A 57 1.746 -17.381 -9.018 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -1.063 -16.425 -8.553 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -0.435 -17.253 -9.964 1.00 1.00 H new ATOM 0 HG LEU A 57 -0.417 -18.364 -7.162 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -2.276 -19.876 -7.898 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -2.739 -18.157 -7.913 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -2.351 -18.988 -9.438 1.00 1.00 H new ATOM 0 HD21 LEU A 57 0.018 -20.577 -8.179 1.00 1.00 H new ATOM 0 HD22 LEU A 57 0.183 -19.790 -9.767 1.00 1.00 H new ATOM 0 HD23 LEU A 57 1.328 -19.404 -8.460 1.00 1.00 H new ATOM 893 N HIS A 58 0.194 -14.525 -9.289 1.00 1.00 N ATOM 894 CA HIS A 58 0.179 -13.126 -9.587 1.00 1.00 C ATOM 895 C HIS A 58 -0.905 -12.428 -8.840 1.00 1.00 C ATOM 896 O HIS A 58 -1.944 -12.155 -9.437 1.00 1.00 O ATOM 897 CB HIS A 58 -0.125 -12.877 -11.074 1.00 1.00 C ATOM 898 CG HIS A 58 0.863 -13.461 -12.038 1.00 1.00 C ATOM 899 ND1 HIS A 58 2.147 -13.872 -11.853 1.00 1.00 N flip ATOM 900 CD2 HIS A 58 0.580 -13.647 -13.366 1.00 1.00 C flip ATOM 901 CE1 HIS A 58 2.601 -14.313 -13.068 1.00 1.00 C flip ATOM 902 NE2 HIS A 58 1.638 -14.166 -13.960 1.00 1.00 N flip ATOM 0 H HIS A 58 -0.742 -14.928 -9.260 1.00 1.00 H new ATOM 0 HA HIS A 58 1.164 -12.751 -9.310 1.00 1.00 H new ATOM 0 HB2 HIS A 58 -1.111 -13.284 -11.299 1.00 1.00 H new ATOM 0 HB3 HIS A 58 -0.178 -11.801 -11.241 1.00 1.00 H new ATOM 0 HD1 HIS A 58 2.671 -13.855 -10.978 1.00 1.00 H new ATOM 0 HD2 HIS A 58 -0.356 -13.408 -13.848 1.00 1.00 H new ATOM 0 HE1 HIS A 58 3.584 -14.715 -13.264 1.00 1.00 H new ATOM 910 N GLN A 59 -0.773 -12.096 -7.543 1.00 1.00 N ATOM 911 CA GLN A 59 -1.763 -11.302 -6.884 1.00 1.00 C ATOM 912 C GLN A 59 -1.231 -10.561 -5.707 1.00 1.00 C ATOM 913 O GLN A 59 -0.560 -11.127 -4.845 1.00 1.00 O ATOM 914 CB GLN A 59 -2.929 -12.142 -6.336 1.00 1.00 C ATOM 915 CG GLN A 59 -4.210 -11.375 -6.003 1.00 1.00 C ATOM 916 CD GLN A 59 -5.163 -12.286 -5.243 1.00 1.00 C ATOM 917 OE1 GLN A 59 -5.765 -13.205 -5.795 1.00 1.00 O ATOM 918 NE2 GLN A 59 -5.293 -12.065 -3.907 1.00 1.00 N ATOM 0 H GLN A 59 0.012 -12.375 -6.955 1.00 1.00 H new ATOM 0 HA GLN A 59 -2.094 -10.616 -7.663 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -3.171 -12.913 -7.068 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -2.590 -12.653 -5.435 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -3.975 -10.496 -5.404 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -4.682 -11.019 -6.919 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -4.786 -11.298 -3.465 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -5.897 -12.666 -3.347 1.00 1.00 H new ATOM 927 N VAL A 60 -1.544 -9.257 -5.603 1.00 1.00 N ATOM 928 CA VAL A 60 -1.121 -8.398 -4.541 1.00 1.00 C ATOM 929 C VAL A 60 -2.302 -7.589 -4.127 1.00 1.00 C ATOM 930 O VAL A 60 -3.297 -7.553 -4.849 1.00 1.00 O ATOM 931 CB VAL A 60 0.035 -7.565 -5.008 1.00 1.00 C ATOM 932 CG1 VAL A 60 0.567 -6.544 -3.990 1.00 1.00 C ATOM 933 CG2 VAL A 60 1.214 -8.486 -5.369 1.00 1.00 C ATOM 0 H VAL A 60 -2.121 -8.778 -6.295 1.00 1.00 H new ATOM 0 HA VAL A 60 -0.766 -8.954 -3.673 1.00 1.00 H new ATOM 0 HB VAL A 60 -0.357 -7.003 -5.856 1.00 1.00 H new ATOM 0 HG11 VAL A 60 1.401 -5.995 -4.427 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -0.228 -5.846 -3.725 1.00 1.00 H new ATOM 0 HG13 VAL A 60 0.905 -7.065 -3.095 1.00 1.00 H new ATOM 0 HG21 VAL A 60 2.056 -7.883 -5.709 1.00 1.00 H new ATOM 0 HG22 VAL A 60 1.510 -9.060 -4.491 1.00 1.00 H new ATOM 0 HG23 VAL A 60 0.912 -9.169 -6.164 1.00 1.00 H new ATOM 943 N TRP A 61 -2.298 -6.929 -2.955 1.00 1.00 N ATOM 944 CA TRP A 61 -3.374 -6.104 -2.500 1.00 1.00 C ATOM 945 C TRP A 61 -3.099 -4.642 -2.586 1.00 1.00 C ATOM 946 O TRP A 61 -1.954 -4.195 -2.540 1.00 1.00 O ATOM 947 CB TRP A 61 -3.906 -6.520 -1.117 1.00 1.00 C ATOM 948 CG TRP A 61 -3.264 -6.032 0.159 1.00 1.00 C ATOM 949 CD1 TRP A 61 -2.160 -5.248 0.336 1.00 1.00 C ATOM 950 CD2 TRP A 61 -3.855 -6.169 1.465 1.00 1.00 C ATOM 951 NE1 TRP A 61 -2.066 -4.824 1.635 1.00 1.00 N ATOM 952 CE2 TRP A 61 -3.088 -5.402 2.350 1.00 1.00 C ATOM 953 CE3 TRP A 61 -4.955 -6.857 1.899 1.00 1.00 C ATOM 954 CZ2 TRP A 61 -3.424 -5.321 3.674 1.00 1.00 C ATOM 955 CZ3 TRP A 61 -5.275 -6.775 3.235 1.00 1.00 C ATOM 956 CH2 TRP A 61 -4.528 -6.019 4.106 1.00 1.00 C ATOM 0 H TRP A 61 -1.517 -6.971 -2.300 1.00 1.00 H new ATOM 0 HA TRP A 61 -4.179 -6.286 -3.212 1.00 1.00 H new ATOM 0 HB2 TRP A 61 -4.953 -6.220 -1.078 1.00 1.00 H new ATOM 0 HB3 TRP A 61 -3.885 -7.609 -1.085 1.00 1.00 H new ATOM 0 HD1 TRP A 61 -1.456 -4.996 -0.443 1.00 1.00 H new ATOM 0 HE1 TRP A 61 -1.360 -4.189 2.007 1.00 1.00 H new ATOM 0 HE3 TRP A 61 -5.552 -7.444 1.217 1.00 1.00 H new ATOM 0 HZ2 TRP A 61 -2.839 -4.726 4.360 1.00 1.00 H new ATOM 0 HZ3 TRP A 61 -6.132 -7.317 3.607 1.00 1.00 H new ATOM 0 HH2 TRP A 61 -4.812 -5.972 5.147 1.00 1.00 H new ATOM 967 N LEU A 62 -4.153 -3.816 -2.705 1.00 1.00 N ATOM 968 CA LEU A 62 -4.088 -2.412 -2.441 1.00 1.00 C ATOM 969 C LEU A 62 -5.110 -2.111 -1.398 1.00 1.00 C ATOM 970 O LEU A 62 -6.285 -1.940 -1.724 1.00 1.00 O ATOM 971 CB LEU A 62 -4.446 -1.582 -3.685 1.00 1.00 C ATOM 972 CG LEU A 62 -3.393 -1.577 -4.806 1.00 1.00 C ATOM 973 CD1 LEU A 62 -3.894 -0.768 -6.014 1.00 1.00 C ATOM 974 CD2 LEU A 62 -2.026 -1.043 -4.346 1.00 1.00 C ATOM 0 H LEU A 62 -5.078 -4.134 -2.993 1.00 1.00 H new ATOM 0 HA LEU A 62 -3.074 -2.159 -2.132 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -5.384 -1.959 -4.094 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -4.624 -0.553 -3.374 1.00 1.00 H new ATOM 0 HG LEU A 62 -3.248 -2.618 -5.096 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -3.136 -0.776 -6.797 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -4.813 -1.214 -6.395 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -4.089 0.260 -5.708 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -1.327 -1.065 -5.182 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -2.136 -0.018 -3.992 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -1.645 -1.667 -3.538 1.00 1.00 H new ATOM 986 N ALA A 63 -4.733 -2.025 -0.110 1.00 1.00 N ATOM 987 CA ALA A 63 -5.622 -1.597 0.926 1.00 1.00 C ATOM 988 C ALA A 63 -5.374 -0.155 1.204 1.00 1.00 C ATOM 989 O ALA A 63 -4.249 0.337 1.143 1.00 1.00 O ATOM 990 CB ALA A 63 -5.519 -2.499 2.168 1.00 1.00 C ATOM 0 H ALA A 63 -3.795 -2.256 0.218 1.00 1.00 H new ATOM 0 HA ALA A 63 -6.657 -1.697 0.599 1.00 1.00 H new ATOM 0 HB1 ALA A 63 -6.208 -2.144 2.934 1.00 1.00 H new ATOM 0 HB2 ALA A 63 -5.775 -3.523 1.896 1.00 1.00 H new ATOM 0 HB3 ALA A 63 -4.500 -2.470 2.555 1.00 1.00 H new ATOM 996 N THR A 64 -6.451 0.623 1.414 1.00 1.00 N ATOM 997 CA THR A 64 -6.410 2.044 1.251 1.00 1.00 C ATOM 998 C THR A 64 -7.418 2.720 2.117 1.00 1.00 C ATOM 999 O THR A 64 -7.882 2.151 3.104 1.00 1.00 O ATOM 1000 CB THR A 64 -6.510 2.397 -0.203 1.00 1.00 C ATOM 1001 OG1 THR A 64 -6.148 3.741 -0.486 1.00 1.00 O ATOM 1002 CG2 THR A 64 -7.890 2.122 -0.825 1.00 1.00 C ATOM 0 H THR A 64 -7.361 0.262 1.700 1.00 1.00 H new ATOM 0 HA THR A 64 -5.448 2.424 1.594 1.00 1.00 H new ATOM 0 HB THR A 64 -5.785 1.727 -0.664 1.00 1.00 H new ATOM 0 HG1 THR A 64 -5.607 4.096 0.250 1.00 1.00 H new ATOM 0 HG21 THR A 64 -7.877 2.405 -1.878 1.00 1.00 H new ATOM 0 HG22 THR A 64 -8.124 1.061 -0.737 1.00 1.00 H new ATOM 0 HG23 THR A 64 -8.648 2.705 -0.302 1.00 1.00 H new ATOM 1010 N LYS A 65 -7.812 3.960 1.778 1.00 1.00 N ATOM 1011 CA LYS A 65 -8.777 4.777 2.445 1.00 1.00 C ATOM 1012 C LYS A 65 -10.126 4.155 2.574 1.00 1.00 C ATOM 1013 O LYS A 65 -10.620 3.909 3.673 1.00 1.00 O ATOM 1014 CB LYS A 65 -8.949 6.127 1.729 1.00 1.00 C ATOM 1015 CG LYS A 65 -9.873 7.141 2.407 1.00 1.00 C ATOM 1016 CD LYS A 65 -9.608 7.371 3.896 1.00 1.00 C ATOM 1017 CE LYS A 65 -10.267 8.640 4.441 1.00 1.00 C ATOM 1018 NZ LYS A 65 -9.831 8.909 5.830 1.00 1.00 N ATOM 0 H LYS A 65 -7.419 4.431 0.963 1.00 1.00 H new ATOM 0 HA LYS A 65 -8.372 4.908 3.448 1.00 1.00 H new ATOM 0 HB2 LYS A 65 -7.965 6.582 1.617 1.00 1.00 H new ATOM 0 HB3 LYS A 65 -9.328 5.936 0.725 1.00 1.00 H new ATOM 0 HG2 LYS A 65 -9.783 8.095 1.887 1.00 1.00 H new ATOM 0 HG3 LYS A 65 -10.904 6.807 2.285 1.00 1.00 H new ATOM 0 HD2 LYS A 65 -9.971 6.511 4.459 1.00 1.00 H new ATOM 0 HD3 LYS A 65 -8.532 7.429 4.061 1.00 1.00 H new ATOM 0 HE2 LYS A 65 -10.012 9.488 3.805 1.00 1.00 H new ATOM 0 HE3 LYS A 65 -11.351 8.533 4.411 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 -10.292 9.774 6.177 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 -10.096 8.108 6.438 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 -8.799 9.034 5.852 1.00 1.00 H new ATOM 1032 N GLN A 66 -10.780 3.881 1.431 1.00 1.00 N ATOM 1033 CA GLN A 66 -12.140 3.448 1.365 1.00 1.00 C ATOM 1034 C GLN A 66 -12.311 2.013 1.730 1.00 1.00 C ATOM 1035 O GLN A 66 -13.372 1.562 2.155 1.00 1.00 O ATOM 1036 CB GLN A 66 -12.596 3.705 -0.081 1.00 1.00 C ATOM 1037 CG GLN A 66 -14.077 3.443 -0.361 1.00 1.00 C ATOM 1038 CD GLN A 66 -14.320 3.567 -1.858 1.00 1.00 C ATOM 1039 OE1 GLN A 66 -14.325 2.567 -2.573 1.00 1.00 O ATOM 1040 NE2 GLN A 66 -14.489 4.823 -2.351 1.00 1.00 N ATOM 0 H GLN A 66 -10.341 3.965 0.514 1.00 1.00 H new ATOM 0 HA GLN A 66 -12.743 3.997 2.089 1.00 1.00 H new ATOM 0 HB2 GLN A 66 -12.374 4.742 -0.335 1.00 1.00 H new ATOM 0 HB3 GLN A 66 -12.002 3.080 -0.747 1.00 1.00 H new ATOM 0 HG2 GLN A 66 -14.357 2.448 -0.014 1.00 1.00 H new ATOM 0 HG3 GLN A 66 -14.696 4.156 0.183 1.00 1.00 H new ATOM 0 HE21 GLN A 66 -14.478 5.624 -1.720 1.00 1.00 H new ATOM 0 HE22 GLN A 66 -14.627 4.964 -3.352 1.00 1.00 H new ATOM 1049 N GLY A 67 -11.228 1.230 1.584 1.00 1.00 N ATOM 1050 CA GLY A 67 -11.211 -0.175 1.852 1.00 1.00 C ATOM 1051 C GLY A 67 -10.111 -0.783 1.053 1.00 1.00 C ATOM 1052 O GLY A 67 -9.098 -1.233 1.590 1.00 1.00 O ATOM 0 H GLY A 67 -10.328 1.590 1.267 1.00 1.00 H new ATOM 0 HA2 GLY A 67 -11.056 -0.358 2.915 1.00 1.00 H new ATOM 0 HA3 GLY A 67 -12.168 -0.625 1.587 1.00 1.00 H new ATOM 1056 N GLY A 68 -10.266 -0.776 -0.283 1.00 1.00 N ATOM 1057 CA GLY A 68 -9.338 -1.356 -1.204 1.00 1.00 C ATOM 1058 C GLY A 68 -9.536 -2.810 -1.465 1.00 1.00 C ATOM 1059 O GLY A 68 -10.330 -3.487 -0.815 1.00 1.00 O ATOM 0 H GLY A 68 -11.071 -0.349 -0.740 1.00 1.00 H new ATOM 0 HA2 GLY A 68 -9.405 -0.820 -2.151 1.00 1.00 H new ATOM 0 HA3 GLY A 68 -8.328 -1.205 -0.823 1.00 1.00 H new ATOM 1063 N TYR A 69 -8.803 -3.336 -2.464 1.00 1.00 N ATOM 1064 CA TYR A 69 -9.053 -4.619 -3.041 1.00 1.00 C ATOM 1065 C TYR A 69 -7.815 -5.166 -3.666 1.00 1.00 C ATOM 1066 O TYR A 69 -6.843 -4.443 -3.882 1.00 1.00 O ATOM 1067 CB TYR A 69 -10.191 -4.521 -4.070 1.00 1.00 C ATOM 1068 CG TYR A 69 -11.274 -5.488 -3.734 1.00 1.00 C ATOM 1069 CD1 TYR A 69 -12.282 -5.160 -2.858 1.00 1.00 C ATOM 1070 CD2 TYR A 69 -11.278 -6.730 -4.324 1.00 1.00 C ATOM 1071 CE1 TYR A 69 -13.309 -6.042 -2.615 1.00 1.00 C ATOM 1072 CE2 TYR A 69 -12.304 -7.616 -4.093 1.00 1.00 C ATOM 1073 CZ TYR A 69 -13.328 -7.261 -3.247 1.00 1.00 C ATOM 1074 OH TYR A 69 -14.399 -8.158 -3.043 1.00 1.00 O ATOM 0 H TYR A 69 -8.010 -2.851 -2.883 1.00 1.00 H new ATOM 0 HA TYR A 69 -9.359 -5.305 -2.251 1.00 1.00 H new ATOM 0 HB2 TYR A 69 -10.591 -3.507 -4.085 1.00 1.00 H new ATOM 0 HB3 TYR A 69 -9.807 -4.727 -5.069 1.00 1.00 H new ATOM 0 HD1 TYR A 69 -12.267 -4.203 -2.357 1.00 1.00 H new ATOM 0 HD2 TYR A 69 -10.465 -7.013 -4.977 1.00 1.00 H new ATOM 0 HE1 TYR A 69 -14.099 -5.776 -1.928 1.00 1.00 H new ATOM 0 HE2 TYR A 69 -12.305 -8.584 -4.573 1.00 1.00 H new ATOM 0 HH TYR A 69 -14.249 -8.971 -3.569 1.00 1.00 H new ATOM 1084 N HIS A 70 -7.778 -6.472 -3.980 1.00 1.00 N ATOM 1085 CA HIS A 70 -6.658 -7.081 -4.629 1.00 1.00 C ATOM 1086 C HIS A 70 -6.630 -6.927 -6.110 1.00 1.00 C ATOM 1087 O HIS A 70 -7.645 -6.682 -6.760 1.00 1.00 O ATOM 1088 CB HIS A 70 -6.425 -8.553 -4.248 1.00 1.00 C ATOM 1089 CG HIS A 70 -7.436 -9.570 -4.692 1.00 1.00 C ATOM 1090 ND1 HIS A 70 -7.582 -10.051 -5.965 1.00 1.00 N ATOM 1091 CD2 HIS A 70 -8.280 -10.294 -3.909 1.00 1.00 C ATOM 1092 CE1 HIS A 70 -8.472 -11.024 -5.960 1.00 1.00 C ATOM 1093 NE2 HIS A 70 -8.904 -11.201 -4.725 1.00 1.00 N ATOM 0 H HIS A 70 -8.541 -7.119 -3.780 1.00 1.00 H new ATOM 0 HA HIS A 70 -5.826 -6.500 -4.231 1.00 1.00 H new ATOM 0 HB2 HIS A 70 -5.456 -8.851 -4.648 1.00 1.00 H new ATOM 0 HB3 HIS A 70 -6.352 -8.608 -3.162 1.00 1.00 H new ATOM 0 HD1 HIS A 70 -7.082 -9.711 -6.787 1.00 1.00 H new ATOM 0 HD2 HIS A 70 -8.430 -10.176 -2.846 1.00 1.00 H new ATOM 0 HE1 HIS A 70 -8.795 -11.585 -6.825 1.00 1.00 H new ATOM 1101 N PHE A 71 -5.414 -7.061 -6.669 1.00 1.00 N ATOM 1102 CA PHE A 71 -5.143 -6.852 -8.058 1.00 1.00 C ATOM 1103 C PHE A 71 -4.575 -8.048 -8.740 1.00 1.00 C ATOM 1104 O PHE A 71 -3.671 -8.716 -8.238 1.00 1.00 O ATOM 1105 CB PHE A 71 -4.323 -5.573 -8.297 1.00 1.00 C ATOM 1106 CG PHE A 71 -2.965 -5.399 -7.709 1.00 1.00 C ATOM 1107 CD1 PHE A 71 -2.806 -4.972 -6.410 1.00 1.00 C ATOM 1108 CD2 PHE A 71 -1.870 -5.400 -8.539 1.00 1.00 C ATOM 1109 CE1 PHE A 71 -1.576 -4.562 -5.954 1.00 1.00 C ATOM 1110 CE2 PHE A 71 -0.629 -5.015 -8.089 1.00 1.00 C ATOM 1111 CZ PHE A 71 -0.485 -4.584 -6.791 1.00 1.00 C ATOM 0 H PHE A 71 -4.587 -7.325 -6.133 1.00 1.00 H new ATOM 0 HA PHE A 71 -6.110 -6.695 -8.535 1.00 1.00 H new ATOM 0 HB2 PHE A 71 -4.218 -5.461 -9.376 1.00 1.00 H new ATOM 0 HB3 PHE A 71 -4.929 -4.738 -7.947 1.00 1.00 H new ATOM 0 HD1 PHE A 71 -3.655 -4.959 -5.743 1.00 1.00 H new ATOM 0 HD2 PHE A 71 -1.987 -5.710 -9.567 1.00 1.00 H new ATOM 0 HE1 PHE A 71 -1.466 -4.221 -4.935 1.00 1.00 H new ATOM 0 HE2 PHE A 71 0.225 -5.051 -8.749 1.00 1.00 H new ATOM 0 HZ PHE A 71 0.481 -4.264 -6.430 1.00 1.00 H new ATOM 1121 N ASP A 72 -5.118 -8.352 -9.933 1.00 1.00 N ATOM 1122 CA ASP A 72 -4.763 -9.480 -10.737 1.00 1.00 C ATOM 1123 C ASP A 72 -4.530 -9.004 -12.130 1.00 1.00 C ATOM 1124 O ASP A 72 -5.167 -8.068 -12.610 1.00 1.00 O ATOM 1125 CB ASP A 72 -5.880 -10.531 -10.830 1.00 1.00 C ATOM 1126 CG ASP A 72 -6.383 -11.064 -9.496 1.00 1.00 C ATOM 1127 OD1 ASP A 72 -6.850 -10.295 -8.612 1.00 1.00 O ATOM 1128 OD2 ASP A 72 -6.416 -12.318 -9.390 1.00 1.00 O ATOM 0 H ASP A 72 -5.845 -7.778 -10.359 1.00 1.00 H new ATOM 0 HA ASP A 72 -3.887 -9.934 -10.274 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -6.721 -10.096 -11.370 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -5.519 -11.370 -11.425 1.00 1.00 H new ATOM 1133 N LEU A 73 -3.605 -9.633 -12.877 1.00 1.00 N ATOM 1134 CA LEU A 73 -3.138 -9.142 -14.136 1.00 1.00 C ATOM 1135 C LEU A 73 -4.014 -9.571 -15.262 1.00 1.00 C ATOM 1136 O LEU A 73 -4.120 -10.760 -15.560 1.00 1.00 O ATOM 1137 CB LEU A 73 -1.688 -9.612 -14.341 1.00 1.00 C ATOM 1138 CG LEU A 73 -0.767 -8.647 -15.106 1.00 1.00 C ATOM 1139 CD1 LEU A 73 0.674 -9.183 -15.095 1.00 1.00 C ATOM 1140 CD2 LEU A 73 -1.213 -8.360 -16.549 1.00 1.00 C ATOM 0 H LEU A 73 -3.168 -10.511 -12.596 1.00 1.00 H new ATOM 0 HA LEU A 73 -3.171 -8.053 -14.126 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -1.248 -9.804 -13.362 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -1.707 -10.563 -14.874 1.00 1.00 H new ATOM 0 HG LEU A 73 -0.825 -7.693 -14.582 1.00 1.00 H new ATOM 0 HD11 LEU A 73 1.322 -8.495 -15.638 1.00 1.00 H new ATOM 0 HD12 LEU A 73 1.021 -9.272 -14.066 1.00 1.00 H new ATOM 0 HD13 LEU A 73 0.702 -10.162 -15.573 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -0.510 -7.671 -17.017 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -1.239 -9.292 -17.114 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -2.207 -7.913 -16.540 1.00 1.00 H new ATOM 1152 N LYS A 74 -4.706 -8.632 -15.932 1.00 1.00 N ATOM 1153 CA LYS A 74 -5.542 -8.925 -17.054 1.00 1.00 C ATOM 1154 C LYS A 74 -5.031 -8.292 -18.302 1.00 1.00 C ATOM 1155 O LYS A 74 -5.605 -7.345 -18.835 1.00 1.00 O ATOM 1156 CB LYS A 74 -6.960 -8.432 -16.722 1.00 1.00 C ATOM 1157 CG LYS A 74 -7.658 -9.229 -15.618 1.00 1.00 C ATOM 1158 CD LYS A 74 -7.986 -10.679 -15.977 1.00 1.00 C ATOM 1159 CE LYS A 74 -8.570 -11.500 -14.826 1.00 1.00 C ATOM 1160 NZ LYS A 74 -9.945 -11.078 -14.477 1.00 1.00 N ATOM 0 H LYS A 74 -4.683 -7.642 -15.687 1.00 1.00 H new ATOM 0 HA LYS A 74 -5.548 -9.999 -17.238 1.00 1.00 H new ATOM 0 HB2 LYS A 74 -6.908 -7.385 -16.422 1.00 1.00 H new ATOM 0 HB3 LYS A 74 -7.568 -8.474 -17.625 1.00 1.00 H new ATOM 0 HG2 LYS A 74 -7.024 -9.224 -14.731 1.00 1.00 H new ATOM 0 HG3 LYS A 74 -8.583 -8.718 -15.351 1.00 1.00 H new ATOM 0 HD2 LYS A 74 -8.694 -10.684 -16.806 1.00 1.00 H new ATOM 0 HD3 LYS A 74 -7.078 -11.167 -16.331 1.00 1.00 H new ATOM 0 HE2 LYS A 74 -8.575 -12.555 -15.101 1.00 1.00 H new ATOM 0 HE3 LYS A 74 -7.929 -11.401 -13.950 1.00 1.00 H new ATOM 0 HZ1 LYS A 74 -10.299 -11.662 -13.693 1.00 1.00 H new ATOM 0 HZ2 LYS A 74 -9.939 -10.079 -14.189 1.00 1.00 H new ATOM 0 HZ3 LYS A 74 -10.565 -11.196 -15.304 1.00 1.00 H new ATOM 1174 N GLY A 75 -3.925 -8.814 -18.861 1.00 1.00 N ATOM 1175 CA GLY A 75 -3.371 -8.372 -20.103 1.00 1.00 C ATOM 1176 C GLY A 75 -2.246 -7.412 -19.922 1.00 1.00 C ATOM 1177 O GLY A 75 -1.114 -7.812 -19.658 1.00 1.00 O ATOM 0 H GLY A 75 -3.396 -9.573 -18.431 1.00 1.00 H new ATOM 0 HA2 GLY A 75 -3.019 -9.236 -20.667 1.00 1.00 H new ATOM 0 HA3 GLY A 75 -4.153 -7.901 -20.698 1.00 1.00 H new ATOM 1181 N ASP A 76 -2.523 -6.105 -20.080 1.00 1.00 N ATOM 1182 CA ASP A 76 -1.564 -5.052 -19.941 1.00 1.00 C ATOM 1183 C ASP A 76 -1.894 -4.152 -18.799 1.00 1.00 C ATOM 1184 O ASP A 76 -1.291 -3.092 -18.632 1.00 1.00 O ATOM 1185 CB ASP A 76 -1.492 -4.236 -21.243 1.00 1.00 C ATOM 1186 CG ASP A 76 -0.763 -5.031 -22.317 1.00 1.00 C ATOM 1187 OD1 ASP A 76 0.431 -5.366 -22.100 1.00 1.00 O ATOM 1188 OD2 ASP A 76 -1.361 -5.312 -23.391 1.00 1.00 O ATOM 0 H ASP A 76 -3.456 -5.767 -20.315 1.00 1.00 H new ATOM 0 HA ASP A 76 -0.595 -5.509 -19.737 1.00 1.00 H new ATOM 0 HB2 ASP A 76 -2.498 -3.988 -21.582 1.00 1.00 H new ATOM 0 HB3 ASP A 76 -0.975 -3.293 -21.063 1.00 1.00 H new ATOM 1193 N GLU A 77 -2.852 -4.535 -17.935 1.00 1.00 N ATOM 1194 CA GLU A 77 -3.247 -3.749 -16.808 1.00 1.00 C ATOM 1195 C GLU A 77 -3.728 -4.727 -15.792 1.00 1.00 C ATOM 1196 O GLU A 77 -4.263 -5.785 -16.121 1.00 1.00 O ATOM 1197 CB GLU A 77 -4.307 -2.686 -17.144 1.00 1.00 C ATOM 1198 CG GLU A 77 -4.722 -1.745 -16.011 1.00 1.00 C ATOM 1199 CD GLU A 77 -3.594 -0.887 -15.455 1.00 1.00 C ATOM 1200 OE1 GLU A 77 -2.602 -1.461 -14.933 1.00 1.00 O ATOM 1201 OE2 GLU A 77 -3.699 0.367 -15.520 1.00 1.00 O ATOM 0 H GLU A 77 -3.364 -5.413 -18.023 1.00 1.00 H new ATOM 0 HA GLU A 77 -2.407 -3.161 -16.437 1.00 1.00 H new ATOM 0 HB2 GLU A 77 -3.931 -2.080 -17.969 1.00 1.00 H new ATOM 0 HB3 GLU A 77 -5.199 -3.198 -17.505 1.00 1.00 H new ATOM 0 HG2 GLU A 77 -5.515 -1.090 -16.372 1.00 1.00 H new ATOM 0 HG3 GLU A 77 -5.144 -2.338 -15.200 1.00 1.00 H new ATOM 1208 N TRP A 78 -3.507 -4.424 -14.501 1.00 1.00 N ATOM 1209 CA TRP A 78 -3.989 -5.242 -13.433 1.00 1.00 C ATOM 1210 C TRP A 78 -5.343 -4.738 -13.070 1.00 1.00 C ATOM 1211 O TRP A 78 -5.575 -3.555 -12.820 1.00 1.00 O ATOM 1212 CB TRP A 78 -3.033 -5.338 -12.231 1.00 1.00 C ATOM 1213 CG TRP A 78 -1.618 -5.815 -12.463 1.00 1.00 C ATOM 1214 CD1 TRP A 78 -0.621 -5.215 -13.174 1.00 1.00 C ATOM 1215 CD2 TRP A 78 -0.994 -6.892 -11.739 1.00 1.00 C ATOM 1216 NE1 TRP A 78 0.575 -5.843 -12.944 1.00 1.00 N ATOM 1217 CE2 TRP A 78 0.372 -6.857 -12.040 1.00 1.00 C ATOM 1218 CE3 TRP A 78 -1.488 -7.795 -10.840 1.00 1.00 C ATOM 1219 CZ2 TRP A 78 1.239 -7.722 -11.430 1.00 1.00 C ATOM 1220 CZ3 TRP A 78 -0.606 -8.645 -10.213 1.00 1.00 C ATOM 1221 CH2 TRP A 78 0.739 -8.598 -10.495 1.00 1.00 C ATOM 0 H TRP A 78 -2.988 -3.601 -14.194 1.00 1.00 H new ATOM 0 HA TRP A 78 -4.050 -6.276 -13.771 1.00 1.00 H new ATOM 0 HB2 TRP A 78 -2.978 -4.350 -11.774 1.00 1.00 H new ATOM 0 HB3 TRP A 78 -3.490 -6.003 -11.498 1.00 1.00 H new ATOM 0 HD1 TRP A 78 -0.755 -4.365 -13.826 1.00 1.00 H new ATOM 0 HE1 TRP A 78 1.468 -5.598 -13.373 1.00 1.00 H new ATOM 0 HE3 TRP A 78 -2.546 -7.840 -10.627 1.00 1.00 H new ATOM 0 HZ2 TRP A 78 2.290 -7.717 -11.677 1.00 1.00 H new ATOM 0 HZ3 TRP A 78 -0.975 -9.358 -9.490 1.00 1.00 H new ATOM 0 HH2 TRP A 78 1.414 -9.260 -9.973 1.00 1.00 H new ATOM 1232 N ILE A 79 -6.347 -5.633 -13.075 1.00 1.00 N ATOM 1233 CA ILE A 79 -7.715 -5.399 -12.732 1.00 1.00 C ATOM 1234 C ILE A 79 -7.905 -5.627 -11.272 1.00 1.00 C ATOM 1235 O ILE A 79 -7.383 -6.569 -10.677 1.00 1.00 O ATOM 1236 CB ILE A 79 -8.573 -6.291 -13.581 1.00 1.00 C ATOM 1237 CG1 ILE A 79 -8.729 -5.568 -14.930 1.00 1.00 C ATOM 1238 CG2 ILE A 79 -9.872 -6.783 -12.920 1.00 1.00 C ATOM 1239 CD1 ILE A 79 -9.865 -6.032 -15.839 1.00 1.00 C ATOM 0 H ILE A 79 -6.185 -6.604 -13.343 1.00 1.00 H new ATOM 0 HA ILE A 79 -8.007 -4.367 -12.929 1.00 1.00 H new ATOM 0 HB ILE A 79 -8.088 -7.255 -13.734 1.00 1.00 H new ATOM 0 HG12 ILE A 79 -8.867 -4.505 -14.731 1.00 1.00 H new ATOM 0 HG13 ILE A 79 -7.793 -5.670 -15.479 1.00 1.00 H new ATOM 0 HG21 ILE A 79 -10.417 -7.419 -13.617 1.00 1.00 H new ATOM 0 HG22 ILE A 79 -9.631 -7.352 -12.022 1.00 1.00 H new ATOM 0 HG23 ILE A 79 -10.490 -5.927 -12.651 1.00 1.00 H new ATOM 0 HD11 ILE A 79 -9.863 -5.441 -16.755 1.00 1.00 H new ATOM 0 HD12 ILE A 79 -9.727 -7.085 -16.086 1.00 1.00 H new ATOM 0 HD13 ILE A 79 -10.818 -5.902 -15.326 1.00 1.00 H new ATOM 1251 N CYS A 80 -8.683 -4.729 -10.644 1.00 1.00 N ATOM 1252 CA CYS A 80 -9.037 -4.858 -9.264 1.00 1.00 C ATOM 1253 C CYS A 80 -10.187 -5.800 -9.168 1.00 1.00 C ATOM 1254 O CYS A 80 -11.078 -5.744 -10.014 1.00 1.00 O ATOM 1255 CB CYS A 80 -9.475 -3.556 -8.573 1.00 1.00 C ATOM 1256 SG CYS A 80 -8.053 -2.538 -8.075 1.00 1.00 S ATOM 0 H CYS A 80 -9.072 -3.903 -11.098 1.00 1.00 H new ATOM 0 HA CYS A 80 -8.132 -5.198 -8.760 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -10.112 -2.984 -9.248 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -10.075 -3.796 -7.695 1.00 1.00 H new ATOM 0 HG CYS A 80 -7.796 -1.666 -9.005 1.00 1.00 H new ATOM 1262 N ASP A 81 -10.258 -6.680 -8.153 1.00 1.00 N ATOM 1263 CA ASP A 81 -11.292 -7.664 -8.059 1.00 1.00 C ATOM 1264 C ASP A 81 -12.597 -7.145 -7.564 1.00 1.00 C ATOM 1265 O ASP A 81 -13.595 -7.861 -7.512 1.00 1.00 O ATOM 1266 CB ASP A 81 -10.743 -8.878 -7.291 1.00 1.00 C ATOM 1267 CG ASP A 81 -11.609 -10.125 -7.410 1.00 1.00 C ATOM 1268 OD1 ASP A 81 -12.007 -10.481 -8.552 1.00 1.00 O ATOM 1269 OD2 ASP A 81 -11.872 -10.779 -6.367 1.00 1.00 O ATOM 0 H ASP A 81 -9.587 -6.709 -7.385 1.00 1.00 H new ATOM 0 HA ASP A 81 -11.559 -7.988 -9.065 1.00 1.00 H new ATOM 0 HB2 ASP A 81 -9.742 -9.106 -7.658 1.00 1.00 H new ATOM 0 HB3 ASP A 81 -10.644 -8.615 -6.238 1.00 1.00 H new ATOM 1274 N ARG A 82 -12.702 -5.847 -7.222 1.00 1.00 N ATOM 1275 CA ARG A 82 -13.940 -5.197 -6.922 1.00 1.00 C ATOM 1276 C ARG A 82 -14.663 -4.763 -8.150 1.00 1.00 C ATOM 1277 O ARG A 82 -14.146 -4.862 -9.261 1.00 1.00 O ATOM 1278 CB ARG A 82 -13.723 -3.961 -6.031 1.00 1.00 C ATOM 1279 CG ARG A 82 -12.921 -2.812 -6.641 1.00 1.00 C ATOM 1280 CD ARG A 82 -13.544 -1.450 -6.327 1.00 1.00 C ATOM 1281 NE ARG A 82 -12.975 -0.417 -7.237 1.00 1.00 N ATOM 1282 CZ ARG A 82 -13.439 0.867 -7.240 1.00 1.00 C ATOM 1283 NH1 ARG A 82 -14.339 1.299 -6.310 1.00 1.00 N ATOM 1284 NH2 ARG A 82 -13.062 1.746 -8.214 1.00 1.00 N ATOM 0 H ARG A 82 -11.894 -5.228 -7.152 1.00 1.00 H new ATOM 0 HA ARG A 82 -14.543 -5.937 -6.396 1.00 1.00 H new ATOM 0 HB2 ARG A 82 -14.700 -3.577 -5.737 1.00 1.00 H new ATOM 0 HB3 ARG A 82 -13.219 -4.282 -5.119 1.00 1.00 H new ATOM 0 HG2 ARG A 82 -11.900 -2.840 -6.261 1.00 1.00 H new ATOM 0 HG3 ARG A 82 -12.862 -2.944 -7.721 1.00 1.00 H new ATOM 0 HD2 ARG A 82 -14.626 -1.498 -6.447 1.00 1.00 H new ATOM 0 HD3 ARG A 82 -13.350 -1.181 -5.289 1.00 1.00 H new ATOM 0 HE ARG A 82 -12.221 -0.675 -7.873 1.00 1.00 H new ATOM 0 HH11 ARG A 82 -14.679 0.658 -5.593 1.00 1.00 H new ATOM 0 HH12 ARG A 82 -14.672 2.263 -6.332 1.00 1.00 H new ATOM 0 HH21 ARG A 82 -12.425 1.447 -8.953 1.00 1.00 H new ATOM 0 HH22 ARG A 82 -13.417 2.702 -8.203 1.00 1.00 H new ATOM 1298 N SER A 83 -15.875 -4.195 -8.023 1.00 1.00 N ATOM 1299 CA SER A 83 -16.567 -3.575 -9.112 1.00 1.00 C ATOM 1300 C SER A 83 -16.022 -2.232 -9.461 1.00 1.00 C ATOM 1301 O SER A 83 -16.685 -1.207 -9.312 1.00 1.00 O ATOM 1302 CB SER A 83 -18.074 -3.402 -8.860 1.00 1.00 C ATOM 1303 OG SER A 83 -18.717 -4.648 -8.640 1.00 1.00 O ATOM 0 H SER A 83 -16.388 -4.165 -7.142 1.00 1.00 H new ATOM 0 HA SER A 83 -16.410 -4.269 -9.938 1.00 1.00 H new ATOM 0 HB2 SER A 83 -18.226 -2.756 -7.995 1.00 1.00 H new ATOM 0 HB3 SER A 83 -18.531 -2.903 -9.715 1.00 1.00 H new ATOM 0 HG SER A 83 -19.673 -4.500 -8.482 1.00 1.00 H new ATOM 1309 N GLY A 84 -14.765 -2.194 -9.936 1.00 1.00 N ATOM 1310 CA GLY A 84 -14.134 -1.043 -10.504 1.00 1.00 C ATOM 1311 C GLY A 84 -12.699 -1.411 -10.663 1.00 1.00 C ATOM 1312 O GLY A 84 -11.968 -1.521 -9.679 1.00 1.00 O ATOM 0 H GLY A 84 -14.155 -3.012 -9.923 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -14.581 -0.784 -11.464 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -14.246 -0.174 -9.856 1.00 1.00 H new ATOM 1316 N GLU A 85 -12.274 -1.723 -11.899 1.00 1.00 N ATOM 1317 CA GLU A 85 -11.260 -2.700 -12.149 1.00 1.00 C ATOM 1318 C GLU A 85 -10.021 -2.159 -12.776 1.00 1.00 C ATOM 1319 O GLU A 85 -9.784 -2.278 -13.978 1.00 1.00 O ATOM 1320 CB GLU A 85 -11.884 -3.763 -13.069 1.00 1.00 C ATOM 1321 CG GLU A 85 -12.822 -3.196 -14.137 1.00 1.00 C ATOM 1322 CD GLU A 85 -13.276 -4.212 -15.174 1.00 1.00 C ATOM 1323 OE1 GLU A 85 -14.222 -4.988 -14.872 1.00 1.00 O ATOM 1324 OE2 GLU A 85 -12.740 -4.178 -16.314 1.00 1.00 O ATOM 0 H GLU A 85 -12.643 -1.287 -12.744 1.00 1.00 H new ATOM 0 HA GLU A 85 -10.938 -3.104 -11.189 1.00 1.00 H new ATOM 0 HB2 GLU A 85 -11.084 -4.316 -13.561 1.00 1.00 H new ATOM 0 HB3 GLU A 85 -12.437 -4.477 -12.458 1.00 1.00 H new ATOM 0 HG2 GLU A 85 -13.701 -2.777 -13.647 1.00 1.00 H new ATOM 0 HG3 GLU A 85 -12.319 -2.374 -14.646 1.00 1.00 H new ATOM 1331 N THR A 86 -9.135 -1.591 -11.940 1.00 1.00 N ATOM 1332 CA THR A 86 -7.969 -0.906 -12.408 1.00 1.00 C ATOM 1333 C THR A 86 -6.898 -0.694 -11.394 1.00 1.00 C ATOM 1334 O THR A 86 -7.121 -0.122 -10.327 1.00 1.00 O ATOM 1335 CB THR A 86 -8.216 0.483 -12.914 1.00 1.00 C ATOM 1336 OG1 THR A 86 -9.309 1.121 -12.271 1.00 1.00 O ATOM 1337 CG2 THR A 86 -8.489 0.488 -14.427 1.00 1.00 C ATOM 0 H THR A 86 -9.228 -1.607 -10.924 1.00 1.00 H new ATOM 0 HA THR A 86 -7.663 -1.598 -13.193 1.00 1.00 H new ATOM 0 HB THR A 86 -7.304 1.035 -12.688 1.00 1.00 H new ATOM 0 HG1 THR A 86 -9.326 2.069 -12.518 1.00 1.00 H new ATOM 0 HG21 THR A 86 -8.664 1.510 -14.762 1.00 1.00 H new ATOM 0 HG22 THR A 86 -7.628 0.076 -14.953 1.00 1.00 H new ATOM 0 HG23 THR A 86 -9.369 -0.119 -14.640 1.00 1.00 H new ATOM 1345 N PHE A 87 -5.645 -1.059 -11.717 1.00 1.00 N ATOM 1346 CA PHE A 87 -4.476 -0.805 -10.934 1.00 1.00 C ATOM 1347 C PHE A 87 -4.110 0.626 -10.733 1.00 1.00 C ATOM 1348 O PHE A 87 -4.529 1.249 -9.759 1.00 1.00 O ATOM 1349 CB PHE A 87 -3.325 -1.576 -11.600 1.00 1.00 C ATOM 1350 CG PHE A 87 -2.039 -1.655 -10.850 1.00 1.00 C ATOM 1351 CD1 PHE A 87 -1.973 -1.644 -9.477 1.00 1.00 C ATOM 1352 CD2 PHE A 87 -0.880 -1.768 -11.579 1.00 1.00 C ATOM 1353 CE1 PHE A 87 -0.760 -1.712 -8.835 1.00 1.00 C ATOM 1354 CE2 PHE A 87 0.334 -1.866 -10.941 1.00 1.00 C ATOM 1355 CZ PHE A 87 0.396 -1.838 -9.567 1.00 1.00 C ATOM 0 H PHE A 87 -5.436 -1.563 -12.579 1.00 1.00 H new ATOM 0 HA PHE A 87 -4.688 -1.142 -9.919 1.00 1.00 H new ATOM 0 HB2 PHE A 87 -3.666 -2.593 -11.795 1.00 1.00 H new ATOM 0 HB3 PHE A 87 -3.125 -1.116 -12.568 1.00 1.00 H new ATOM 0 HD1 PHE A 87 -2.882 -1.581 -8.898 1.00 1.00 H new ATOM 0 HD2 PHE A 87 -0.923 -1.780 -12.658 1.00 1.00 H new ATOM 0 HE1 PHE A 87 -0.715 -1.666 -7.757 1.00 1.00 H new ATOM 0 HE2 PHE A 87 1.241 -1.965 -11.520 1.00 1.00 H new ATOM 0 HZ PHE A 87 1.350 -1.915 -9.066 1.00 1.00 H new ATOM 1365 N TRP A 88 -3.302 1.217 -11.633 1.00 1.00 N ATOM 1366 CA TRP A 88 -2.748 2.529 -11.510 1.00 1.00 C ATOM 1367 C TRP A 88 -3.782 3.601 -11.460 1.00 1.00 C ATOM 1368 O TRP A 88 -3.592 4.659 -10.864 1.00 1.00 O ATOM 1369 CB TRP A 88 -1.835 2.819 -12.711 1.00 1.00 C ATOM 1370 CG TRP A 88 -0.703 1.860 -12.987 1.00 1.00 C ATOM 1371 CD1 TRP A 88 -0.505 1.053 -14.069 1.00 1.00 C ATOM 1372 CD2 TRP A 88 0.465 1.710 -12.157 1.00 1.00 C ATOM 1373 NE1 TRP A 88 0.711 0.427 -13.981 1.00 1.00 N ATOM 1374 CE2 TRP A 88 1.314 0.803 -12.803 1.00 1.00 C ATOM 1375 CE3 TRP A 88 0.820 2.272 -10.961 1.00 1.00 C ATOM 1376 CZ2 TRP A 88 2.510 0.442 -12.248 1.00 1.00 C ATOM 1377 CZ3 TRP A 88 2.034 1.917 -10.421 1.00 1.00 C ATOM 1378 CH2 TRP A 88 2.856 1.007 -11.042 1.00 1.00 C ATOM 0 H TRP A 88 -3.020 0.751 -12.495 1.00 1.00 H new ATOM 0 HA TRP A 88 -2.198 2.540 -10.569 1.00 1.00 H new ATOM 0 HB2 TRP A 88 -2.460 2.864 -13.603 1.00 1.00 H new ATOM 0 HB3 TRP A 88 -1.406 3.811 -12.573 1.00 1.00 H new ATOM 0 HD1 TRP A 88 -1.207 0.926 -14.880 1.00 1.00 H new ATOM 0 HE1 TRP A 88 1.103 -0.211 -14.673 1.00 1.00 H new ATOM 0 HE3 TRP A 88 0.169 2.971 -10.458 1.00 1.00 H new ATOM 0 HZ2 TRP A 88 3.162 -0.264 -12.740 1.00 1.00 H new ATOM 0 HZ3 TRP A 88 2.348 2.363 -9.489 1.00 1.00 H new ATOM 0 HH2 TRP A 88 3.790 0.731 -10.575 1.00 1.00 H new ATOM 1389 N ASP A 89 -4.942 3.318 -12.081 1.00 1.00 N ATOM 1390 CA ASP A 89 -6.092 4.164 -12.152 1.00 1.00 C ATOM 1391 C ASP A 89 -6.896 4.157 -10.897 1.00 1.00 C ATOM 1392 O ASP A 89 -7.312 5.216 -10.428 1.00 1.00 O ATOM 1393 CB ASP A 89 -6.787 3.870 -13.493 1.00 1.00 C ATOM 1394 CG ASP A 89 -8.234 4.324 -13.636 1.00 1.00 C ATOM 1395 OD1 ASP A 89 -9.125 3.652 -13.051 1.00 1.00 O ATOM 1396 OD2 ASP A 89 -8.504 5.283 -14.405 1.00 1.00 O ATOM 0 H ASP A 89 -5.084 2.433 -12.568 1.00 1.00 H new ATOM 0 HA ASP A 89 -5.841 5.224 -12.179 1.00 1.00 H new ATOM 0 HB2 ASP A 89 -6.205 4.339 -14.286 1.00 1.00 H new ATOM 0 HB3 ASP A 89 -6.751 2.794 -13.665 1.00 1.00 H new ATOM 1401 N LEU A 90 -7.096 3.026 -10.199 1.00 1.00 N ATOM 1402 CA LEU A 90 -7.708 3.093 -8.908 1.00 1.00 C ATOM 1403 C LEU A 90 -6.789 3.675 -7.890 1.00 1.00 C ATOM 1404 O LEU A 90 -7.172 4.431 -6.999 1.00 1.00 O ATOM 1405 CB LEU A 90 -8.160 1.727 -8.361 1.00 1.00 C ATOM 1406 CG LEU A 90 -8.895 1.780 -7.013 1.00 1.00 C ATOM 1407 CD1 LEU A 90 -10.067 2.776 -7.002 1.00 1.00 C ATOM 1408 CD2 LEU A 90 -9.377 0.388 -6.570 1.00 1.00 C ATOM 0 H LEU A 90 -6.843 2.090 -10.515 1.00 1.00 H new ATOM 0 HA LEU A 90 -8.582 3.725 -9.066 1.00 1.00 H new ATOM 0 HB2 LEU A 90 -8.813 1.256 -9.096 1.00 1.00 H new ATOM 0 HB3 LEU A 90 -7.284 1.087 -8.256 1.00 1.00 H new ATOM 0 HG LEU A 90 -8.159 2.140 -6.295 1.00 1.00 H new ATOM 0 HD11 LEU A 90 -10.544 2.766 -6.022 1.00 1.00 H new ATOM 0 HD12 LEU A 90 -9.695 3.778 -7.214 1.00 1.00 H new ATOM 0 HD13 LEU A 90 -10.794 2.491 -7.762 1.00 1.00 H new ATOM 0 HD21 LEU A 90 -9.892 0.469 -5.613 1.00 1.00 H new ATOM 0 HD22 LEU A 90 -10.061 -0.015 -7.317 1.00 1.00 H new ATOM 0 HD23 LEU A 90 -8.520 -0.278 -6.466 1.00 1.00 H new ATOM 1420 N LEU A 91 -5.494 3.329 -8.003 1.00 1.00 N ATOM 1421 CA LEU A 91 -4.413 3.912 -7.270 1.00 1.00 C ATOM 1422 C LEU A 91 -4.330 5.394 -7.383 1.00 1.00 C ATOM 1423 O LEU A 91 -4.138 6.074 -6.375 1.00 1.00 O ATOM 1424 CB LEU A 91 -3.084 3.225 -7.629 1.00 1.00 C ATOM 1425 CG LEU A 91 -1.907 3.478 -6.672 1.00 1.00 C ATOM 1426 CD1 LEU A 91 -2.190 3.014 -5.234 1.00 1.00 C ATOM 1427 CD2 LEU A 91 -0.643 2.783 -7.206 1.00 1.00 C ATOM 0 H LEU A 91 -5.184 2.599 -8.644 1.00 1.00 H new ATOM 0 HA LEU A 91 -4.623 3.731 -6.216 1.00 1.00 H new ATOM 0 HB2 LEU A 91 -3.258 2.150 -7.682 1.00 1.00 H new ATOM 0 HB3 LEU A 91 -2.790 3.550 -8.627 1.00 1.00 H new ATOM 0 HG LEU A 91 -1.757 4.557 -6.632 1.00 1.00 H new ATOM 0 HD11 LEU A 91 -1.322 3.220 -4.608 1.00 1.00 H new ATOM 0 HD12 LEU A 91 -3.055 3.549 -4.843 1.00 1.00 H new ATOM 0 HD13 LEU A 91 -2.394 1.943 -5.231 1.00 1.00 H new ATOM 0 HD21 LEU A 91 0.188 2.965 -6.524 1.00 1.00 H new ATOM 0 HD22 LEU A 91 -0.822 1.710 -7.281 1.00 1.00 H new ATOM 0 HD23 LEU A 91 -0.398 3.180 -8.191 1.00 1.00 H new ATOM 1439 N GLU A 92 -4.562 5.974 -8.574 1.00 1.00 N ATOM 1440 CA GLU A 92 -4.798 7.373 -8.763 1.00 1.00 C ATOM 1441 C GLU A 92 -5.933 7.885 -7.944 1.00 1.00 C ATOM 1442 O GLU A 92 -5.750 8.806 -7.152 1.00 1.00 O ATOM 1443 CB GLU A 92 -5.073 7.782 -10.220 1.00 1.00 C ATOM 1444 CG GLU A 92 -5.149 9.298 -10.412 1.00 1.00 C ATOM 1445 CD GLU A 92 -5.696 9.753 -11.757 1.00 1.00 C ATOM 1446 OE1 GLU A 92 -5.109 9.381 -12.808 1.00 1.00 O ATOM 1447 OE2 GLU A 92 -6.699 10.516 -11.765 1.00 1.00 O ATOM 0 H GLU A 92 -4.586 5.444 -9.445 1.00 1.00 H new ATOM 0 HA GLU A 92 -3.857 7.819 -8.441 1.00 1.00 H new ATOM 0 HB2 GLU A 92 -4.287 7.380 -10.859 1.00 1.00 H new ATOM 0 HB3 GLU A 92 -6.011 7.333 -10.547 1.00 1.00 H new ATOM 0 HG2 GLU A 92 -5.773 9.717 -9.623 1.00 1.00 H new ATOM 0 HG3 GLU A 92 -4.150 9.715 -10.284 1.00 1.00 H new ATOM 1454 N GLN A 93 -7.145 7.314 -8.063 1.00 1.00 N ATOM 1455 CA GLN A 93 -8.314 7.751 -7.364 1.00 1.00 C ATOM 1456 C GLN A 93 -8.227 7.679 -5.877 1.00 1.00 C ATOM 1457 O GLN A 93 -8.644 8.574 -5.144 1.00 1.00 O ATOM 1458 CB GLN A 93 -9.492 6.931 -7.915 1.00 1.00 C ATOM 1459 CG GLN A 93 -9.753 7.221 -9.395 1.00 1.00 C ATOM 1460 CD GLN A 93 -10.853 6.334 -9.961 1.00 1.00 C ATOM 1461 OE1 GLN A 93 -12.039 6.530 -9.700 1.00 1.00 O ATOM 1462 NE2 GLN A 93 -10.462 5.329 -10.789 1.00 1.00 N ATOM 0 H GLN A 93 -7.318 6.514 -8.672 1.00 1.00 H new ATOM 0 HA GLN A 93 -8.446 8.818 -7.544 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -9.286 5.869 -7.785 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -10.390 7.154 -7.338 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -10.032 8.268 -9.516 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -8.835 7.068 -9.962 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -9.472 5.189 -10.988 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -11.159 4.715 -11.211 1.00 1.00 H new ATOM 1471 N ALA A 94 -7.609 6.615 -5.334 1.00 1.00 N ATOM 1472 CA ALA A 94 -7.274 6.488 -3.950 1.00 1.00 C ATOM 1473 C ALA A 94 -6.308 7.526 -3.489 1.00 1.00 C ATOM 1474 O ALA A 94 -6.504 8.182 -2.468 1.00 1.00 O ATOM 1475 CB ALA A 94 -6.682 5.087 -3.723 1.00 1.00 C ATOM 0 H ALA A 94 -7.330 5.805 -5.887 1.00 1.00 H new ATOM 0 HA ALA A 94 -8.184 6.632 -3.367 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -6.419 4.969 -2.672 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -7.418 4.332 -4.000 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -5.789 4.966 -4.336 1.00 1.00 H new ATOM 1481 N ALA A 95 -5.220 7.775 -4.239 1.00 1.00 N ATOM 1482 CA ALA A 95 -4.268 8.794 -3.927 1.00 1.00 C ATOM 1483 C ALA A 95 -4.793 10.182 -4.055 1.00 1.00 C ATOM 1484 O ALA A 95 -4.489 11.041 -3.230 1.00 1.00 O ATOM 1485 CB ALA A 95 -3.009 8.590 -4.789 1.00 1.00 C ATOM 0 H ALA A 95 -4.996 7.253 -5.086 1.00 1.00 H new ATOM 0 HA ALA A 95 -4.022 8.689 -2.870 1.00 1.00 H new ATOM 0 HB1 ALA A 95 -2.279 9.365 -4.555 1.00 1.00 H new ATOM 0 HB2 ALA A 95 -2.579 7.611 -4.579 1.00 1.00 H new ATOM 0 HB3 ALA A 95 -3.277 8.650 -5.844 1.00 1.00 H new ATOM 1491 N THR A 96 -5.660 10.457 -5.047 1.00 1.00 N ATOM 1492 CA THR A 96 -6.367 11.682 -5.258 1.00 1.00 C ATOM 1493 C THR A 96 -7.206 12.064 -4.088 1.00 1.00 C ATOM 1494 O THR A 96 -7.275 13.234 -3.719 1.00 1.00 O ATOM 1495 CB THR A 96 -7.159 11.721 -6.532 1.00 1.00 C ATOM 1496 OG1 THR A 96 -6.947 12.923 -7.259 1.00 1.00 O ATOM 1497 CG2 THR A 96 -8.689 11.615 -6.405 1.00 1.00 C ATOM 0 H THR A 96 -5.883 9.763 -5.760 1.00 1.00 H new ATOM 0 HA THR A 96 -5.586 12.434 -5.368 1.00 1.00 H new ATOM 0 HB THR A 96 -6.782 10.828 -7.031 1.00 1.00 H new ATOM 0 HG1 THR A 96 -7.480 12.906 -8.081 1.00 1.00 H new ATOM 0 HG21 THR A 96 -9.140 11.656 -7.396 1.00 1.00 H new ATOM 0 HG22 THR A 96 -8.950 10.671 -5.926 1.00 1.00 H new ATOM 0 HG23 THR A 96 -9.062 12.443 -5.802 1.00 1.00 H new ATOM 1505 N GLN A 97 -7.853 11.088 -3.427 1.00 1.00 N ATOM 1506 CA GLN A 97 -8.591 11.361 -2.232 1.00 1.00 C ATOM 1507 C GLN A 97 -7.731 11.513 -1.026 1.00 1.00 C ATOM 1508 O GLN A 97 -7.990 12.346 -0.159 1.00 1.00 O ATOM 1509 CB GLN A 97 -9.781 10.417 -1.992 1.00 1.00 C ATOM 1510 CG GLN A 97 -9.514 9.045 -1.367 1.00 1.00 C ATOM 1511 CD GLN A 97 -10.746 8.152 -1.387 1.00 1.00 C ATOM 1512 OE1 GLN A 97 -10.723 7.072 -1.976 1.00 1.00 O ATOM 1513 NE2 GLN A 97 -11.861 8.589 -0.742 1.00 1.00 N ATOM 0 H GLN A 97 -7.866 10.111 -3.719 1.00 1.00 H new ATOM 0 HA GLN A 97 -9.036 12.339 -2.414 1.00 1.00 H new ATOM 0 HB2 GLN A 97 -10.494 10.939 -1.353 1.00 1.00 H new ATOM 0 HB3 GLN A 97 -10.273 10.254 -2.951 1.00 1.00 H new ATOM 0 HG2 GLN A 97 -8.703 8.554 -1.906 1.00 1.00 H new ATOM 0 HG3 GLN A 97 -9.179 9.176 -0.338 1.00 1.00 H new ATOM 0 HE21 GLN A 97 -11.853 9.489 -0.261 1.00 1.00 H new ATOM 0 HE22 GLN A 97 -12.706 8.017 -0.739 1.00 1.00 H new ATOM 1522 N GLN A 98 -6.650 10.720 -0.915 1.00 1.00 N ATOM 1523 CA GLN A 98 -5.759 10.710 0.203 1.00 1.00 C ATOM 1524 C GLN A 98 -4.861 11.893 0.312 1.00 1.00 C ATOM 1525 O GLN A 98 -4.676 12.412 1.412 1.00 1.00 O ATOM 1526 CB GLN A 98 -4.963 9.394 0.214 1.00 1.00 C ATOM 1527 CG GLN A 98 -5.785 8.168 0.612 1.00 1.00 C ATOM 1528 CD GLN A 98 -5.987 8.054 2.118 1.00 1.00 C ATOM 1529 OE1 GLN A 98 -5.345 7.245 2.786 1.00 1.00 O ATOM 1530 NE2 GLN A 98 -6.888 8.885 2.706 1.00 1.00 N ATOM 0 H GLN A 98 -6.385 10.054 -1.640 1.00 1.00 H new ATOM 0 HA GLN A 98 -6.388 10.779 1.091 1.00 1.00 H new ATOM 0 HB2 GLN A 98 -4.542 9.229 -0.778 1.00 1.00 H new ATOM 0 HB3 GLN A 98 -4.125 9.495 0.903 1.00 1.00 H new ATOM 0 HG2 GLN A 98 -6.758 8.214 0.122 1.00 1.00 H new ATOM 0 HG3 GLN A 98 -5.287 7.269 0.248 1.00 1.00 H new ATOM 0 HE21 GLN A 98 -7.413 9.551 2.139 1.00 1.00 H new ATOM 0 HE22 GLN A 98 -7.039 8.843 3.714 1.00 1.00 H new ATOM 1539 N ALA A 99 -4.282 12.375 -0.803 1.00 1.00 N ATOM 1540 CA ALA A 99 -3.496 13.567 -0.864 1.00 1.00 C ATOM 1541 C ALA A 99 -4.336 14.785 -1.039 1.00 1.00 C ATOM 1542 O ALA A 99 -4.069 15.829 -0.445 1.00 1.00 O ATOM 1543 CB ALA A 99 -2.501 13.480 -2.034 1.00 1.00 C ATOM 0 H ALA A 99 -4.367 11.909 -1.706 1.00 1.00 H new ATOM 0 HA ALA A 99 -2.966 13.650 0.085 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -1.906 14.392 -2.074 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -1.843 12.623 -1.889 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -3.048 13.363 -2.969 1.00 1.00 H new ATOM 1549 N GLY A 100 -5.399 14.707 -1.859 1.00 1.00 N ATOM 1550 CA GLY A 100 -6.335 15.770 -2.058 1.00 1.00 C ATOM 1551 C GLY A 100 -6.195 16.472 -3.364 1.00 1.00 C ATOM 1552 O GLY A 100 -6.779 17.538 -3.562 1.00 1.00 O ATOM 0 H GLY A 100 -5.615 13.872 -2.404 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -7.345 15.368 -1.981 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -6.219 16.496 -1.254 1.00 1.00 H new ATOM 1556 N GLU A 101 -5.420 15.901 -4.302 1.00 1.00 N ATOM 1557 CA GLU A 101 -5.110 16.490 -5.568 1.00 1.00 C ATOM 1558 C GLU A 101 -4.555 15.383 -6.395 1.00 1.00 C ATOM 1559 O GLU A 101 -4.212 14.339 -5.844 1.00 1.00 O ATOM 1560 CB GLU A 101 -4.128 17.664 -5.415 1.00 1.00 C ATOM 1561 CG GLU A 101 -2.798 17.324 -4.736 1.00 1.00 C ATOM 1562 CD GLU A 101 -2.140 18.555 -4.129 1.00 1.00 C ATOM 1563 OE1 GLU A 101 -1.956 19.581 -4.836 1.00 1.00 O ATOM 1564 OE2 GLU A 101 -1.822 18.527 -2.910 1.00 1.00 O ATOM 0 H GLU A 101 -4.989 14.986 -4.172 1.00 1.00 H new ATOM 0 HA GLU A 101 -5.990 16.924 -6.043 1.00 1.00 H new ATOM 0 HB2 GLU A 101 -3.918 18.071 -6.404 1.00 1.00 H new ATOM 0 HB3 GLU A 101 -4.617 18.453 -4.843 1.00 1.00 H new ATOM 0 HG2 GLU A 101 -2.968 16.581 -3.956 1.00 1.00 H new ATOM 0 HG3 GLU A 101 -2.123 16.873 -5.464 1.00 1.00 H new ATOM 1571 N THR A 102 -4.471 15.511 -7.732 1.00 1.00 N ATOM 1572 CA THR A 102 -4.102 14.417 -8.575 1.00 1.00 C ATOM 1573 C THR A 102 -2.688 13.976 -8.401 1.00 1.00 C ATOM 1574 O THR A 102 -1.736 14.680 -8.729 1.00 1.00 O ATOM 1575 CB THR A 102 -4.336 14.600 -10.045 1.00 1.00 C ATOM 1576 OG1 THR A 102 -5.714 14.823 -10.308 1.00 1.00 O ATOM 1577 CG2 THR A 102 -3.959 13.347 -10.855 1.00 1.00 C ATOM 0 H THR A 102 -4.660 16.380 -8.232 1.00 1.00 H new ATOM 0 HA THR A 102 -4.793 13.652 -8.221 1.00 1.00 H new ATOM 0 HB THR A 102 -3.717 15.448 -10.337 1.00 1.00 H new ATOM 0 HG1 THR A 102 -5.848 14.942 -11.271 1.00 1.00 H new ATOM 0 HG21 THR A 102 -4.146 13.528 -11.913 1.00 1.00 H new ATOM 0 HG22 THR A 102 -2.903 13.122 -10.706 1.00 1.00 H new ATOM 0 HG23 THR A 102 -4.561 12.502 -10.520 1.00 1.00 H new ATOM 1585 N VAL A 103 -2.535 12.741 -7.891 1.00 1.00 N ATOM 1586 CA VAL A 103 -1.314 12.006 -7.773 1.00 1.00 C ATOM 1587 C VAL A 103 -1.238 11.125 -8.972 1.00 1.00 C ATOM 1588 O VAL A 103 -2.141 10.343 -9.265 1.00 1.00 O ATOM 1589 CB VAL A 103 -1.298 11.203 -6.506 1.00 1.00 C ATOM 1590 CG1 VAL A 103 -0.072 10.276 -6.457 1.00 1.00 C ATOM 1591 CG2 VAL A 103 -1.271 12.166 -5.306 1.00 1.00 C ATOM 0 H VAL A 103 -3.332 12.215 -7.532 1.00 1.00 H new ATOM 0 HA VAL A 103 -0.453 12.672 -7.727 1.00 1.00 H new ATOM 0 HB VAL A 103 -2.193 10.582 -6.469 1.00 1.00 H new ATOM 0 HG11 VAL A 103 -0.084 9.705 -5.529 1.00 1.00 H new ATOM 0 HG12 VAL A 103 -0.100 9.591 -7.304 1.00 1.00 H new ATOM 0 HG13 VAL A 103 0.838 10.874 -6.503 1.00 1.00 H new ATOM 0 HG21 VAL A 103 -1.259 11.592 -4.379 1.00 1.00 H new ATOM 0 HG22 VAL A 103 -0.378 12.788 -5.359 1.00 1.00 H new ATOM 0 HG23 VAL A 103 -2.157 12.800 -5.329 1.00 1.00 H new ATOM 1601 N SER A 104 -0.150 11.268 -9.750 1.00 1.00 N ATOM 1602 CA SER A 104 -0.050 10.802 -11.098 1.00 1.00 C ATOM 1603 C SER A 104 0.751 9.553 -11.215 1.00 1.00 C ATOM 1604 O SER A 104 1.982 9.576 -11.202 1.00 1.00 O ATOM 1605 CB SER A 104 0.601 11.840 -12.028 1.00 1.00 C ATOM 1606 OG SER A 104 -0.164 13.036 -12.067 1.00 1.00 O ATOM 0 H SER A 104 0.699 11.730 -9.424 1.00 1.00 H new ATOM 0 HA SER A 104 -1.081 10.615 -11.398 1.00 1.00 H new ATOM 0 HB2 SER A 104 1.611 12.061 -11.683 1.00 1.00 H new ATOM 0 HB3 SER A 104 0.691 11.428 -13.033 1.00 1.00 H new ATOM 0 HG SER A 104 0.269 13.682 -12.663 1.00 1.00 H new ATOM 1612 N PHE A 105 0.095 8.389 -11.375 1.00 1.00 N ATOM 1613 CA PHE A 105 0.774 7.143 -11.552 1.00 1.00 C ATOM 1614 C PHE A 105 0.913 6.788 -12.991 1.00 1.00 C ATOM 1615 O PHE A 105 1.949 6.277 -13.415 1.00 1.00 O ATOM 1616 CB PHE A 105 -0.001 6.027 -10.831 1.00 1.00 C ATOM 1617 CG PHE A 105 0.279 6.077 -9.368 1.00 1.00 C ATOM 1618 CD1 PHE A 105 1.444 5.536 -8.880 1.00 1.00 C ATOM 1619 CD2 PHE A 105 -0.596 6.685 -8.497 1.00 1.00 C ATOM 1620 CE1 PHE A 105 1.745 5.604 -7.540 1.00 1.00 C ATOM 1621 CE2 PHE A 105 -0.309 6.748 -7.153 1.00 1.00 C ATOM 1622 CZ PHE A 105 0.861 6.205 -6.675 1.00 1.00 C ATOM 0 H PHE A 105 -0.922 8.312 -11.382 1.00 1.00 H new ATOM 0 HA PHE A 105 1.773 7.248 -11.130 1.00 1.00 H new ATOM 0 HB2 PHE A 105 -1.070 6.141 -11.009 1.00 1.00 H new ATOM 0 HB3 PHE A 105 0.287 5.055 -11.232 1.00 1.00 H new ATOM 0 HD1 PHE A 105 2.132 5.051 -9.557 1.00 1.00 H new ATOM 0 HD2 PHE A 105 -1.513 7.115 -8.871 1.00 1.00 H new ATOM 0 HE1 PHE A 105 2.670 5.188 -7.169 1.00 1.00 H new ATOM 0 HE2 PHE A 105 -1.001 7.223 -6.474 1.00 1.00 H new ATOM 0 HZ PHE A 105 1.085 6.251 -5.620 1.00 1.00 H new ATOM 1632 N ARG A 106 -0.106 7.103 -13.810 1.00 1.00 N ATOM 1633 CA ARG A 106 -0.128 6.818 -15.211 1.00 1.00 C ATOM 1634 C ARG A 106 0.481 7.965 -16.005 1.00 1.00 C ATOM 1635 O ARG A 106 0.526 9.128 -15.521 1.00 1.00 O ATOM 1636 CB ARG A 106 -1.574 6.668 -15.710 1.00 1.00 C ATOM 1637 CG ARG A 106 -2.254 5.326 -15.424 1.00 1.00 C ATOM 1638 CD ARG A 106 -2.004 4.249 -16.482 1.00 1.00 C ATOM 1639 NE ARG A 106 -3.045 3.194 -16.334 1.00 1.00 N ATOM 1640 CZ ARG A 106 -4.331 3.326 -16.772 1.00 1.00 C ATOM 1641 NH1 ARG A 106 -4.807 4.423 -17.428 1.00 1.00 N ATOM 1642 NH2 ARG A 106 -5.181 2.279 -16.558 1.00 1.00 N ATOM 1643 OXT ARG A 106 0.961 7.702 -17.139 1.00 1.00 O ATOM 0 H ARG A 106 -0.949 7.575 -13.483 1.00 1.00 H new ATOM 0 HA ARG A 106 0.437 5.897 -15.355 1.00 1.00 H new ATOM 0 HB2 ARG A 106 -2.175 7.459 -15.261 1.00 1.00 H new ATOM 0 HB3 ARG A 106 -1.583 6.834 -16.787 1.00 1.00 H new ATOM 0 HG2 ARG A 106 -1.908 4.956 -14.459 1.00 1.00 H new ATOM 0 HG3 ARG A 106 -3.328 5.489 -15.336 1.00 1.00 H new ATOM 0 HD2 ARG A 106 -2.043 4.683 -17.481 1.00 1.00 H new ATOM 0 HD3 ARG A 106 -1.009 3.820 -16.359 1.00 1.00 H new ATOM 0 HE ARG A 106 -2.781 2.321 -15.878 1.00 1.00 H new ATOM 0 HH11 ARG A 106 -4.189 5.211 -17.619 1.00 1.00 H new ATOM 0 HH12 ARG A 106 -5.781 4.455 -17.728 1.00 1.00 H new ATOM 0 HH21 ARG A 106 -4.847 1.439 -16.086 1.00 1.00 H new ATOM 0 HH22 ARG A 106 -6.150 2.337 -16.870 1.00 1.00 H new TER 1657 ARG A 106