USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 807 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 55 TYR OH : rot 180:sc= 0.0112 USER MOD Set 1.2: A 85 LYS NZ :NH3+ 177:sc= 0.142 (180deg=0.132) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 14 GLN : amide:sc= -0.0311 X(o=-0.031,f=-0.091) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot -103:sc= 1.27 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -1.15 K(o=-1.1,f=-5.1!) USER MOD Single : A 31 SER OG : rot 90:sc= 1.24 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -121:sc= 0.199 USER MOD Single : A 39 CYS SG : rot 56:sc= -0.941 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 170:sc= 0.43 USER MOD Single : A 54 MET CE :methyl 146:sc= -1.42 (180deg=-2.39!) USER MOD Single : A 59 THR OG1 : rot -125:sc= 0.98 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 150:sc= -0.297 USER MOD Single : A 71 TYR OH : rot 180:sc= -0.0983 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.84 K(o=-0.84,f=-2.3!) USER MOD Single : A 81 SER OG : rot 180:sc= 0.0151 USER MOD Single : A 83 ASN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 87 TYR OH : rot 61:sc= 0.0491 USER MOD Single : A 90 CYS SG : rot -130:sc= -0.621 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= -0.397 USER MOD Single : A 99 LYS NZ :NH3+ -119:sc= 0.0993 (180deg=-0.138) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc=0.000547 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.213 -17.466 14.918 1.00 0.00 N ATOM 2 CA GLY A 1 -14.336 -18.522 14.342 1.00 0.00 C ATOM 3 C GLY A 1 -13.707 -19.399 15.407 1.00 0.00 C ATOM 4 O GLY A 1 -14.386 -19.849 16.330 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.618 -16.894 14.150 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.981 -17.910 15.461 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.653 -16.855 15.546 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.919 -19.143 13.662 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.549 -18.054 13.750 1.00 0.00 H new ATOM 10 N SER A 2 -12.407 -19.643 15.278 1.00 0.00 N ATOM 11 CA SER A 2 -11.687 -20.471 16.237 1.00 0.00 C ATOM 12 C SER A 2 -10.180 -20.355 16.033 1.00 0.00 C ATOM 13 O SER A 2 -9.421 -20.231 16.994 1.00 0.00 O ATOM 14 CB SER A 2 -12.119 -21.934 16.106 1.00 0.00 C ATOM 15 OG SER A 2 -12.180 -22.564 17.373 1.00 0.00 O ATOM 0 H SER A 2 -11.831 -19.279 14.519 1.00 0.00 H new ATOM 0 HA SER A 2 -11.929 -20.116 17.239 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.095 -21.986 15.623 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.417 -22.467 15.465 1.00 0.00 H new ATOM 0 HG SER A 2 -12.460 -23.497 17.261 1.00 0.00 H new ATOM 21 N SER A 3 -9.753 -20.395 14.775 1.00 0.00 N ATOM 22 CA SER A 3 -8.337 -20.293 14.444 1.00 0.00 C ATOM 23 C SER A 3 -8.144 -19.924 12.977 1.00 0.00 C ATOM 24 O SER A 3 -7.331 -19.061 12.644 1.00 0.00 O ATOM 25 CB SER A 3 -7.625 -21.612 14.748 1.00 0.00 C ATOM 26 OG SER A 3 -6.327 -21.384 15.268 1.00 0.00 O ATOM 0 H SER A 3 -10.368 -20.497 13.968 1.00 0.00 H new ATOM 0 HA SER A 3 -7.903 -19.503 15.057 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.211 -22.188 15.464 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.556 -22.209 13.839 1.00 0.00 H new ATOM 0 HG SER A 3 -5.894 -22.243 15.455 1.00 0.00 H new ATOM 32 N GLY A 4 -8.897 -20.583 12.103 1.00 0.00 N ATOM 33 CA GLY A 4 -8.796 -20.311 10.682 1.00 0.00 C ATOM 34 C GLY A 4 -10.064 -20.662 9.930 1.00 0.00 C ATOM 35 O GLY A 4 -10.447 -21.831 9.856 1.00 0.00 O ATOM 0 H GLY A 4 -9.576 -21.301 12.354 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.570 -19.255 10.533 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.963 -20.877 10.266 1.00 0.00 H new ATOM 39 N SER A 5 -10.719 -19.650 9.373 1.00 0.00 N ATOM 40 CA SER A 5 -11.953 -19.856 8.623 1.00 0.00 C ATOM 41 C SER A 5 -11.751 -19.547 7.144 1.00 0.00 C ATOM 42 O SER A 5 -12.165 -20.315 6.276 1.00 0.00 O ATOM 43 CB SER A 5 -13.072 -18.979 9.191 1.00 0.00 C ATOM 44 OG SER A 5 -14.314 -19.279 8.579 1.00 0.00 O ATOM 0 H SER A 5 -10.416 -18.678 9.426 1.00 0.00 H new ATOM 0 HA SER A 5 -12.236 -20.904 8.720 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.147 -19.132 10.268 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.830 -17.928 9.034 1.00 0.00 H new ATOM 0 HG SER A 5 -15.013 -18.707 8.960 1.00 0.00 H new ATOM 50 N SER A 6 -11.111 -18.417 6.863 1.00 0.00 N ATOM 51 CA SER A 6 -10.853 -18.006 5.488 1.00 0.00 C ATOM 52 C SER A 6 -9.406 -18.293 5.097 1.00 0.00 C ATOM 53 O SER A 6 -8.529 -17.446 5.261 1.00 0.00 O ATOM 54 CB SER A 6 -11.154 -16.516 5.315 1.00 0.00 C ATOM 55 OG SER A 6 -11.741 -16.258 4.050 1.00 0.00 O ATOM 0 H SER A 6 -10.761 -17.769 7.569 1.00 0.00 H new ATOM 0 HA SER A 6 -11.508 -18.581 4.834 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.826 -16.183 6.106 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.233 -15.941 5.416 1.00 0.00 H new ATOM 0 HG SER A 6 -11.925 -15.299 3.964 1.00 0.00 H new ATOM 61 N GLY A 7 -9.167 -19.493 4.578 1.00 0.00 N ATOM 62 CA GLY A 7 -7.825 -19.869 4.171 1.00 0.00 C ATOM 63 C GLY A 7 -7.816 -21.064 3.239 1.00 0.00 C ATOM 64 O GLY A 7 -8.757 -21.859 3.229 1.00 0.00 O ATOM 0 H GLY A 7 -9.877 -20.211 4.432 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.348 -19.023 3.677 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.231 -20.098 5.056 1.00 0.00 H new ATOM 68 N ASN A 8 -6.750 -21.194 2.456 1.00 0.00 N ATOM 69 CA ASN A 8 -6.621 -22.302 1.516 1.00 0.00 C ATOM 70 C ASN A 8 -5.356 -23.106 1.793 1.00 0.00 C ATOM 71 O ASN A 8 -4.263 -22.548 1.894 1.00 0.00 O ATOM 72 CB ASN A 8 -6.605 -21.778 0.078 1.00 0.00 C ATOM 73 CG ASN A 8 -7.519 -22.570 -0.836 1.00 0.00 C ATOM 74 OD1 ASN A 8 -7.236 -23.720 -1.171 1.00 0.00 O ATOM 75 ND2 ASN A 8 -8.623 -21.956 -1.245 1.00 0.00 N ATOM 0 H ASN A 8 -5.963 -20.546 2.454 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.481 -22.959 1.646 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -6.908 -20.731 0.072 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -5.587 -21.817 -0.309 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -9.276 -22.439 -1.862 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -8.818 -21.002 -0.942 1.00 0.00 H new ATOM 82 N GLU A 9 -5.510 -24.420 1.916 1.00 0.00 N ATOM 83 CA GLU A 9 -4.379 -25.302 2.181 1.00 0.00 C ATOM 84 C GLU A 9 -3.722 -25.751 0.881 1.00 0.00 C ATOM 85 O GLU A 9 -2.514 -25.982 0.831 1.00 0.00 O ATOM 86 CB GLU A 9 -4.834 -26.521 2.985 1.00 0.00 C ATOM 87 CG GLU A 9 -3.686 -27.316 3.586 1.00 0.00 C ATOM 88 CD GLU A 9 -4.149 -28.298 4.644 1.00 0.00 C ATOM 89 OE1 GLU A 9 -4.632 -27.845 5.704 1.00 0.00 O ATOM 90 OE2 GLU A 9 -4.028 -29.520 4.415 1.00 0.00 O ATOM 0 H GLU A 9 -6.408 -24.898 1.836 1.00 0.00 H new ATOM 0 HA GLU A 9 -3.645 -24.745 2.763 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.495 -26.191 3.786 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.419 -27.175 2.338 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.170 -27.858 2.793 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.963 -26.628 4.025 1.00 0.00 H new ATOM 97 N GLU A 10 -4.526 -25.872 -0.171 1.00 0.00 N ATOM 98 CA GLU A 10 -4.023 -26.294 -1.473 1.00 0.00 C ATOM 99 C GLU A 10 -3.442 -25.112 -2.245 1.00 0.00 C ATOM 100 O GLU A 10 -2.573 -25.284 -3.100 1.00 0.00 O ATOM 101 CB GLU A 10 -5.140 -26.948 -2.288 1.00 0.00 C ATOM 102 CG GLU A 10 -5.237 -28.452 -2.089 1.00 0.00 C ATOM 103 CD GLU A 10 -5.505 -29.194 -3.384 1.00 0.00 C ATOM 104 OE1 GLU A 10 -6.298 -28.689 -4.206 1.00 0.00 O ATOM 105 OE2 GLU A 10 -4.923 -30.283 -3.576 1.00 0.00 O ATOM 0 H GLU A 10 -5.528 -25.684 -0.147 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.229 -27.021 -1.306 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.092 -26.492 -2.016 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.977 -26.739 -3.345 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.309 -28.818 -1.650 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.033 -28.670 -1.378 1.00 0.00 H new ATOM 112 N LEU A 11 -3.927 -23.912 -1.938 1.00 0.00 N ATOM 113 CA LEU A 11 -3.455 -22.704 -2.604 1.00 0.00 C ATOM 114 C LEU A 11 -2.389 -22.002 -1.769 1.00 0.00 C ATOM 115 O LEU A 11 -2.308 -20.773 -1.757 1.00 0.00 O ATOM 116 CB LEU A 11 -4.623 -21.752 -2.867 1.00 0.00 C ATOM 117 CG LEU A 11 -4.445 -20.825 -4.072 1.00 0.00 C ATOM 118 CD1 LEU A 11 -5.126 -21.409 -5.299 1.00 0.00 C ATOM 119 CD2 LEU A 11 -4.993 -19.440 -3.765 1.00 0.00 C ATOM 0 H LEU A 11 -4.646 -23.751 -1.233 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.011 -22.995 -3.556 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.527 -22.343 -3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.781 -21.141 -1.978 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.379 -20.734 -4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.989 -20.736 -6.146 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.687 -22.379 -5.531 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.191 -21.531 -5.101 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.858 -18.795 -4.633 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.055 -19.513 -3.529 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.460 -19.018 -2.913 1.00 0.00 H new ATOM 131 N ARG A 12 -1.574 -22.787 -1.072 1.00 0.00 N ATOM 132 CA ARG A 12 -0.514 -22.237 -0.235 1.00 0.00 C ATOM 133 C ARG A 12 0.860 -22.577 -0.803 1.00 0.00 C ATOM 134 O ARG A 12 1.801 -21.790 -0.694 1.00 0.00 O ATOM 135 CB ARG A 12 -0.633 -22.769 1.194 1.00 0.00 C ATOM 136 CG ARG A 12 -0.056 -21.832 2.242 1.00 0.00 C ATOM 137 CD ARG A 12 -0.792 -21.951 3.567 1.00 0.00 C ATOM 138 NE ARG A 12 -0.004 -22.664 4.569 1.00 0.00 N ATOM 139 CZ ARG A 12 -0.238 -22.603 5.877 1.00 0.00 C ATOM 140 NH1 ARG A 12 -1.237 -21.865 6.346 1.00 0.00 N ATOM 141 NH2 ARG A 12 0.527 -23.282 6.720 1.00 0.00 N ATOM 0 H ARG A 12 -1.627 -23.806 -1.070 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.624 -21.153 -0.221 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.684 -22.949 1.419 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.124 -23.730 1.258 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.000 -22.058 2.390 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.115 -20.804 1.884 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.034 -20.955 3.938 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.737 -22.472 3.411 1.00 0.00 H new ATOM 0 HE ARG A 12 0.772 -23.243 4.247 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.830 -21.341 5.702 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.412 -21.822 7.350 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.295 -23.852 6.366 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.347 -23.235 7.723 1.00 0.00 H new ATOM 155 N ALA A 13 0.970 -23.756 -1.406 1.00 0.00 N ATOM 156 CA ALA A 13 2.229 -24.201 -1.990 1.00 0.00 C ATOM 157 C ALA A 13 2.350 -23.754 -3.443 1.00 0.00 C ATOM 158 O ALA A 13 3.451 -23.531 -3.945 1.00 0.00 O ATOM 159 CB ALA A 13 2.351 -25.714 -1.889 1.00 0.00 C ATOM 0 H ALA A 13 0.202 -24.420 -1.503 1.00 0.00 H new ATOM 0 HA ALA A 13 3.043 -23.743 -1.428 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.296 -26.033 -2.329 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.320 -26.012 -0.841 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.525 -26.182 -2.425 1.00 0.00 H new ATOM 165 N GLN A 14 1.209 -23.626 -4.115 1.00 0.00 N ATOM 166 CA GLN A 14 1.188 -23.206 -5.511 1.00 0.00 C ATOM 167 C GLN A 14 1.520 -21.722 -5.640 1.00 0.00 C ATOM 168 O GLN A 14 2.044 -21.281 -6.663 1.00 0.00 O ATOM 169 CB GLN A 14 -0.183 -23.493 -6.129 1.00 0.00 C ATOM 170 CG GLN A 14 -0.107 -24.211 -7.466 1.00 0.00 C ATOM 171 CD GLN A 14 0.343 -23.301 -8.592 1.00 0.00 C ATOM 172 OE1 GLN A 14 -0.212 -22.220 -8.791 1.00 0.00 O ATOM 173 NE2 GLN A 14 1.355 -23.734 -9.335 1.00 0.00 N ATOM 0 H GLN A 14 0.288 -23.807 -3.715 1.00 0.00 H new ATOM 0 HA GLN A 14 1.947 -23.775 -6.048 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.767 -24.097 -5.434 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.717 -22.552 -6.261 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.583 -25.051 -7.385 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.086 -24.625 -7.708 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.785 -24.637 -9.134 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.702 -23.164 -10.106 1.00 0.00 H new ATOM 182 N GLN A 15 1.213 -20.956 -4.597 1.00 0.00 N ATOM 183 CA GLN A 15 1.480 -19.522 -4.597 1.00 0.00 C ATOM 184 C GLN A 15 2.601 -19.177 -3.621 1.00 0.00 C ATOM 185 O GLN A 15 2.538 -18.168 -2.920 1.00 0.00 O ATOM 186 CB GLN A 15 0.212 -18.748 -4.233 1.00 0.00 C ATOM 187 CG GLN A 15 -1.006 -19.157 -5.045 1.00 0.00 C ATOM 188 CD GLN A 15 -1.813 -17.967 -5.527 1.00 0.00 C ATOM 189 OE1 GLN A 15 -2.455 -17.276 -4.736 1.00 0.00 O ATOM 190 NE2 GLN A 15 -1.785 -17.724 -6.832 1.00 0.00 N ATOM 0 H GLN A 15 0.780 -21.304 -3.742 1.00 0.00 H new ATOM 0 HA GLN A 15 1.797 -19.235 -5.600 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.002 -18.895 -3.174 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.393 -17.683 -4.377 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.684 -19.745 -5.905 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -1.643 -19.801 -4.439 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.239 -18.323 -7.451 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.310 -16.938 -7.216 1.00 0.00 H new ATOM 199 N GLU A 16 3.625 -20.023 -3.582 1.00 0.00 N ATOM 200 CA GLU A 16 4.760 -19.808 -2.692 1.00 0.00 C ATOM 201 C GLU A 16 6.031 -19.523 -3.487 1.00 0.00 C ATOM 202 O GLU A 16 6.781 -18.602 -3.167 1.00 0.00 O ATOM 203 CB GLU A 16 4.967 -21.030 -1.792 1.00 0.00 C ATOM 204 CG GLU A 16 4.614 -20.777 -0.336 1.00 0.00 C ATOM 205 CD GLU A 16 4.827 -22.000 0.535 1.00 0.00 C ATOM 206 OE1 GLU A 16 5.996 -22.391 0.734 1.00 0.00 O ATOM 207 OE2 GLU A 16 3.824 -22.566 1.019 1.00 0.00 O ATOM 0 H GLU A 16 3.692 -20.863 -4.156 1.00 0.00 H new ATOM 0 HA GLU A 16 4.543 -18.940 -2.070 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.360 -21.854 -2.167 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.008 -21.346 -1.856 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.220 -19.955 0.044 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.572 -20.463 -0.267 1.00 0.00 H new ATOM 214 N ALA A 17 6.266 -20.321 -4.524 1.00 0.00 N ATOM 215 CA ALA A 17 7.446 -20.156 -5.363 1.00 0.00 C ATOM 216 C ALA A 17 7.074 -19.603 -6.735 1.00 0.00 C ATOM 217 O ALA A 17 7.803 -18.793 -7.307 1.00 0.00 O ATOM 218 CB ALA A 17 8.179 -21.480 -5.508 1.00 0.00 C ATOM 0 H ALA A 17 5.654 -21.088 -4.803 1.00 0.00 H new ATOM 0 HA ALA A 17 8.107 -19.437 -4.878 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.058 -21.342 -6.137 1.00 0.00 H new ATOM 0 HB2 ALA A 17 8.488 -21.834 -4.525 1.00 0.00 H new ATOM 0 HB3 ALA A 17 7.517 -22.214 -5.966 1.00 0.00 H new ATOM 224 N GLU A 18 5.936 -20.048 -7.257 1.00 0.00 N ATOM 225 CA GLU A 18 5.467 -19.600 -8.563 1.00 0.00 C ATOM 226 C GLU A 18 5.211 -18.096 -8.567 1.00 0.00 C ATOM 227 O GLU A 18 5.639 -17.386 -9.478 1.00 0.00 O ATOM 228 CB GLU A 18 4.191 -20.348 -8.953 1.00 0.00 C ATOM 229 CG GLU A 18 4.444 -21.585 -9.799 1.00 0.00 C ATOM 230 CD GLU A 18 4.791 -21.247 -11.236 1.00 0.00 C ATOM 231 OE1 GLU A 18 5.355 -20.158 -11.470 1.00 0.00 O ATOM 232 OE2 GLU A 18 4.497 -22.072 -12.126 1.00 0.00 O ATOM 0 H GLU A 18 5.321 -20.719 -6.796 1.00 0.00 H new ATOM 0 HA GLU A 18 6.246 -19.817 -9.294 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.660 -20.640 -8.047 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.536 -19.671 -9.502 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.257 -22.162 -9.359 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.558 -22.220 -9.783 1.00 0.00 H new ATOM 239 N ALA A 19 4.510 -17.616 -7.546 1.00 0.00 N ATOM 240 CA ALA A 19 4.196 -16.196 -7.434 1.00 0.00 C ATOM 241 C ALA A 19 5.189 -15.480 -6.524 1.00 0.00 C ATOM 242 O ALA A 19 4.809 -14.617 -5.732 1.00 0.00 O ATOM 243 CB ALA A 19 2.776 -16.010 -6.921 1.00 0.00 C ATOM 0 H ALA A 19 4.148 -18.189 -6.784 1.00 0.00 H new ATOM 0 HA ALA A 19 4.274 -15.753 -8.427 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.554 -14.946 -6.842 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.075 -16.476 -7.613 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.680 -16.475 -5.940 1.00 0.00 H new ATOM 249 N ALA A 20 6.461 -15.844 -6.641 1.00 0.00 N ATOM 250 CA ALA A 20 7.508 -15.235 -5.827 1.00 0.00 C ATOM 251 C ALA A 20 8.583 -14.594 -6.697 1.00 0.00 C ATOM 252 O ALA A 20 9.089 -13.517 -6.383 1.00 0.00 O ATOM 253 CB ALA A 20 8.125 -16.272 -4.900 1.00 0.00 C ATOM 0 H ALA A 20 6.793 -16.557 -7.291 1.00 0.00 H new ATOM 0 HA ALA A 20 7.052 -14.449 -5.225 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.905 -15.804 -4.299 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.355 -16.678 -4.244 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.558 -17.078 -5.493 1.00 0.00 H new ATOM 259 N GLN A 21 8.933 -15.264 -7.791 1.00 0.00 N ATOM 260 CA GLN A 21 9.953 -14.759 -8.703 1.00 0.00 C ATOM 261 C GLN A 21 9.322 -13.989 -9.860 1.00 0.00 C ATOM 262 O GLN A 21 9.794 -12.915 -10.233 1.00 0.00 O ATOM 263 CB GLN A 21 10.801 -15.911 -9.244 1.00 0.00 C ATOM 264 CG GLN A 21 12.070 -16.158 -8.444 1.00 0.00 C ATOM 265 CD GLN A 21 12.008 -17.433 -7.628 1.00 0.00 C ATOM 266 OE1 GLN A 21 11.760 -17.400 -6.423 1.00 0.00 O ATOM 267 NE2 GLN A 21 12.232 -18.567 -8.282 1.00 0.00 N ATOM 0 H GLN A 21 8.525 -16.157 -8.067 1.00 0.00 H new ATOM 0 HA GLN A 21 10.594 -14.076 -8.145 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.202 -16.821 -9.250 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.069 -15.699 -10.279 1.00 0.00 H new ATOM 0 HG2 GLN A 21 12.920 -16.208 -9.125 1.00 0.00 H new ATOM 0 HG3 GLN A 21 12.245 -15.313 -7.778 1.00 0.00 H new ATOM 0 HE21 GLN A 21 12.434 -18.548 -9.282 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.202 -19.457 -7.785 1.00 0.00 H new ATOM 276 N ARG A 22 8.253 -14.543 -10.423 1.00 0.00 N ATOM 277 CA ARG A 22 7.562 -13.906 -11.538 1.00 0.00 C ATOM 278 C ARG A 22 7.090 -12.505 -11.160 1.00 0.00 C ATOM 279 O ARG A 22 7.004 -11.618 -12.008 1.00 0.00 O ATOM 280 CB ARG A 22 6.369 -14.755 -11.981 1.00 0.00 C ATOM 281 CG ARG A 22 6.720 -16.212 -12.235 1.00 0.00 C ATOM 282 CD ARG A 22 5.689 -16.891 -13.122 1.00 0.00 C ATOM 283 NE ARG A 22 4.532 -17.356 -12.361 1.00 0.00 N ATOM 284 CZ ARG A 22 3.450 -16.616 -12.119 1.00 0.00 C ATOM 285 NH1 ARG A 22 3.368 -15.371 -12.574 1.00 0.00 N ATOM 286 NH2 ARG A 22 2.445 -17.124 -11.419 1.00 0.00 N ATOM 0 H ARG A 22 7.847 -15.430 -10.126 1.00 0.00 H new ATOM 0 HA ARG A 22 8.266 -13.822 -12.365 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.594 -14.705 -11.216 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.947 -14.328 -12.891 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.702 -16.274 -12.705 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.788 -16.741 -11.285 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.359 -16.195 -13.893 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.151 -17.736 -13.632 1.00 0.00 H new ATOM 0 HE ARG A 22 4.553 -18.307 -11.992 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.137 -14.974 -13.114 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.536 -14.812 -12.384 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.501 -18.080 -11.067 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.616 -16.559 -11.233 1.00 0.00 H new ATOM 300 N LEU A 23 6.788 -12.313 -9.880 1.00 0.00 N ATOM 301 CA LEU A 23 6.327 -11.019 -9.389 1.00 0.00 C ATOM 302 C LEU A 23 7.295 -10.455 -8.355 1.00 0.00 C ATOM 303 O LEU A 23 6.883 -9.812 -7.389 1.00 0.00 O ATOM 304 CB LEU A 23 4.930 -11.147 -8.780 1.00 0.00 C ATOM 305 CG LEU A 23 4.135 -9.842 -8.703 1.00 0.00 C ATOM 306 CD1 LEU A 23 3.722 -9.386 -10.094 1.00 0.00 C ATOM 307 CD2 LEU A 23 2.915 -10.014 -7.811 1.00 0.00 C ATOM 0 H LEU A 23 6.854 -13.037 -9.164 1.00 0.00 H new ATOM 0 HA LEU A 23 6.284 -10.332 -10.235 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.360 -11.868 -9.366 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.025 -11.557 -7.774 1.00 0.00 H new ATOM 0 HG LEU A 23 4.774 -9.074 -8.267 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.158 -8.456 -10.020 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.612 -9.223 -10.702 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.100 -10.152 -10.558 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.361 -9.076 -7.767 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.274 -10.796 -8.218 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.235 -10.293 -6.807 1.00 0.00 H new ATOM 319 N SER A 24 8.585 -10.700 -8.564 1.00 0.00 N ATOM 320 CA SER A 24 9.612 -10.216 -7.649 1.00 0.00 C ATOM 321 C SER A 24 9.924 -8.747 -7.911 1.00 0.00 C ATOM 322 O SER A 24 10.212 -7.988 -6.985 1.00 0.00 O ATOM 323 CB SER A 24 10.886 -11.052 -7.790 1.00 0.00 C ATOM 324 OG SER A 24 11.335 -11.075 -9.134 1.00 0.00 O ATOM 0 H SER A 24 8.943 -11.230 -9.358 1.00 0.00 H new ATOM 0 HA SER A 24 9.232 -10.313 -6.632 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.667 -10.642 -7.150 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.696 -12.070 -7.449 1.00 0.00 H new ATOM 0 HG SER A 24 11.098 -11.933 -9.544 1.00 0.00 H new ATOM 330 N GLU A 25 9.862 -8.351 -9.178 1.00 0.00 N ATOM 331 CA GLU A 25 10.137 -6.972 -9.562 1.00 0.00 C ATOM 332 C GLU A 25 9.070 -6.033 -9.008 1.00 0.00 C ATOM 333 O GLU A 25 9.371 -4.917 -8.586 1.00 0.00 O ATOM 334 CB GLU A 25 10.200 -6.848 -11.086 1.00 0.00 C ATOM 335 CG GLU A 25 8.914 -7.262 -11.784 1.00 0.00 C ATOM 336 CD GLU A 25 9.135 -7.644 -13.233 1.00 0.00 C ATOM 337 OE1 GLU A 25 10.275 -8.017 -13.583 1.00 0.00 O ATOM 338 OE2 GLU A 25 8.168 -7.569 -14.021 1.00 0.00 O ATOM 0 H GLU A 25 9.624 -8.966 -9.956 1.00 0.00 H new ATOM 0 HA GLU A 25 11.102 -6.688 -9.141 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.430 -5.816 -11.349 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.020 -7.462 -11.459 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.472 -8.105 -11.253 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.197 -6.442 -11.733 1.00 0.00 H new ATOM 345 N GLU A 26 7.824 -6.494 -9.013 1.00 0.00 N ATOM 346 CA GLU A 26 6.711 -5.698 -8.510 1.00 0.00 C ATOM 347 C GLU A 26 6.744 -5.622 -6.986 1.00 0.00 C ATOM 348 O GLU A 26 6.298 -4.638 -6.395 1.00 0.00 O ATOM 349 CB GLU A 26 5.381 -6.291 -8.979 1.00 0.00 C ATOM 350 CG GLU A 26 4.698 -5.472 -10.062 1.00 0.00 C ATOM 351 CD GLU A 26 3.320 -6.001 -10.411 1.00 0.00 C ATOM 352 OE1 GLU A 26 2.653 -6.556 -9.512 1.00 0.00 O ATOM 353 OE2 GLU A 26 2.909 -5.859 -11.581 1.00 0.00 O ATOM 0 H GLU A 26 7.559 -7.416 -9.360 1.00 0.00 H new ATOM 0 HA GLU A 26 6.807 -4.687 -8.907 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.554 -7.300 -9.353 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.710 -6.379 -8.124 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.613 -4.437 -9.730 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.320 -5.470 -10.957 1.00 0.00 H new ATOM 360 N LYS A 27 7.272 -6.667 -6.356 1.00 0.00 N ATOM 361 CA LYS A 27 7.361 -6.716 -4.901 1.00 0.00 C ATOM 362 C LYS A 27 8.337 -5.666 -4.381 1.00 0.00 C ATOM 363 O LYS A 27 8.098 -5.041 -3.348 1.00 0.00 O ATOM 364 CB LYS A 27 7.797 -8.107 -4.441 1.00 0.00 C ATOM 365 CG LYS A 27 7.511 -8.377 -2.972 1.00 0.00 C ATOM 366 CD LYS A 27 7.086 -9.819 -2.742 1.00 0.00 C ATOM 367 CE LYS A 27 8.218 -10.650 -2.162 1.00 0.00 C ATOM 368 NZ LYS A 27 7.737 -11.589 -1.112 1.00 0.00 N ATOM 0 H LYS A 27 7.644 -7.490 -6.830 1.00 0.00 H new ATOM 0 HA LYS A 27 6.373 -6.501 -4.494 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.288 -8.857 -5.046 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.866 -8.223 -4.622 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.401 -8.160 -2.381 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.726 -7.705 -2.624 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.232 -9.844 -2.065 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.758 -10.257 -3.685 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.700 -11.214 -2.960 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.974 -9.988 -1.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.540 -12.137 -0.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.300 -11.050 -0.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.035 -12.237 -1.522 1.00 0.00 H new ATOM 382 N ALA A 28 9.436 -5.476 -5.103 1.00 0.00 N ATOM 383 CA ALA A 28 10.445 -4.499 -4.714 1.00 0.00 C ATOM 384 C ALA A 28 9.849 -3.098 -4.640 1.00 0.00 C ATOM 385 O ALA A 28 9.927 -2.433 -3.608 1.00 0.00 O ATOM 386 CB ALA A 28 11.613 -4.528 -5.690 1.00 0.00 C ATOM 0 H ALA A 28 9.650 -5.986 -5.960 1.00 0.00 H new ATOM 0 HA ALA A 28 10.810 -4.764 -3.722 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.359 -3.793 -5.387 1.00 0.00 H new ATOM 0 HB2 ALA A 28 12.062 -5.521 -5.691 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.256 -4.290 -6.692 1.00 0.00 H new ATOM 392 N GLN A 29 9.252 -2.657 -5.742 1.00 0.00 N ATOM 393 CA GLN A 29 8.639 -1.336 -5.803 1.00 0.00 C ATOM 394 C GLN A 29 7.473 -1.233 -4.825 1.00 0.00 C ATOM 395 O GLN A 29 7.193 -0.160 -4.289 1.00 0.00 O ATOM 396 CB GLN A 29 8.155 -1.040 -7.222 1.00 0.00 C ATOM 397 CG GLN A 29 7.170 -2.068 -7.751 1.00 0.00 C ATOM 398 CD GLN A 29 7.072 -2.059 -9.265 1.00 0.00 C ATOM 399 OE1 GLN A 29 6.128 -1.509 -9.834 1.00 0.00 O ATOM 400 NE2 GLN A 29 8.049 -2.669 -9.924 1.00 0.00 N ATOM 0 H GLN A 29 9.180 -3.196 -6.605 1.00 0.00 H new ATOM 0 HA GLN A 29 9.393 -0.600 -5.523 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.686 -0.056 -7.240 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.016 -0.995 -7.889 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.472 -3.060 -7.416 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.185 -1.874 -7.326 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.811 -3.111 -9.411 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.037 -2.695 -10.944 1.00 0.00 H new ATOM 409 N ALA A 30 6.798 -2.355 -4.598 1.00 0.00 N ATOM 410 CA ALA A 30 5.662 -2.393 -3.684 1.00 0.00 C ATOM 411 C ALA A 30 6.123 -2.444 -2.231 1.00 0.00 C ATOM 412 O ALA A 30 5.400 -2.026 -1.326 1.00 0.00 O ATOM 413 CB ALA A 30 4.774 -3.587 -4.000 1.00 0.00 C ATOM 0 H ALA A 30 7.018 -3.250 -5.034 1.00 0.00 H new ATOM 0 HA ALA A 30 5.087 -1.477 -3.821 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.929 -3.605 -3.311 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.406 -3.506 -5.023 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.349 -4.507 -3.893 1.00 0.00 H new ATOM 419 N SER A 31 7.330 -2.957 -2.012 1.00 0.00 N ATOM 420 CA SER A 31 7.884 -3.062 -0.668 1.00 0.00 C ATOM 421 C SER A 31 8.797 -1.879 -0.356 1.00 0.00 C ATOM 422 O SER A 31 9.707 -1.985 0.466 1.00 0.00 O ATOM 423 CB SER A 31 8.660 -4.372 -0.515 1.00 0.00 C ATOM 424 OG SER A 31 7.853 -5.485 -0.855 1.00 0.00 O ATOM 0 H SER A 31 7.943 -3.306 -2.749 1.00 0.00 H new ATOM 0 HA SER A 31 7.054 -3.052 0.039 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.544 -4.351 -1.153 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.010 -4.473 0.512 1.00 0.00 H new ATOM 0 HG SER A 31 7.943 -5.674 -1.812 1.00 0.00 H new ATOM 430 N ALA A 32 8.548 -0.752 -1.017 1.00 0.00 N ATOM 431 CA ALA A 32 9.348 0.449 -0.808 1.00 0.00 C ATOM 432 C ALA A 32 8.468 1.640 -0.442 1.00 0.00 C ATOM 433 O ALA A 32 8.814 2.434 0.433 1.00 0.00 O ATOM 434 CB ALA A 32 10.167 0.760 -2.052 1.00 0.00 C ATOM 0 H ALA A 32 7.799 -0.646 -1.701 1.00 0.00 H new ATOM 0 HA ALA A 32 10.026 0.262 0.025 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.759 1.659 -1.882 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.831 -0.077 -2.269 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.498 0.921 -2.897 1.00 0.00 H new ATOM 440 N ILE A 33 7.328 1.758 -1.116 1.00 0.00 N ATOM 441 CA ILE A 33 6.399 2.852 -0.861 1.00 0.00 C ATOM 442 C ILE A 33 5.732 2.697 0.502 1.00 0.00 C ATOM 443 O ILE A 33 4.925 1.790 0.710 1.00 0.00 O ATOM 444 CB ILE A 33 5.309 2.931 -1.947 1.00 0.00 C ATOM 445 CG1 ILE A 33 5.941 2.934 -3.340 1.00 0.00 C ATOM 446 CG2 ILE A 33 4.451 4.173 -1.749 1.00 0.00 C ATOM 447 CD1 ILE A 33 4.965 2.595 -4.447 1.00 0.00 C ATOM 0 H ILE A 33 7.026 1.109 -1.843 1.00 0.00 H new ATOM 0 HA ILE A 33 6.982 3.773 -0.877 1.00 0.00 H new ATOM 0 HB ILE A 33 4.670 2.052 -1.860 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.370 3.917 -3.533 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.763 2.218 -3.359 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.686 4.214 -2.524 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.974 4.133 -0.770 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.078 5.062 -1.811 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.482 2.616 -5.407 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.554 1.600 -4.278 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.156 3.325 -4.455 1.00 0.00 H new ATOM 459 N SER A 34 6.075 3.587 1.428 1.00 0.00 N ATOM 460 CA SER A 34 5.506 3.549 2.770 1.00 0.00 C ATOM 461 C SER A 34 4.124 4.191 2.793 1.00 0.00 C ATOM 462 O SER A 34 3.776 4.972 1.907 1.00 0.00 O ATOM 463 CB SER A 34 6.431 4.263 3.758 1.00 0.00 C ATOM 464 OG SER A 34 7.316 3.348 4.382 1.00 0.00 O ATOM 0 H SER A 34 6.743 4.342 1.274 1.00 0.00 H new ATOM 0 HA SER A 34 5.406 2.505 3.067 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.004 5.029 3.236 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.835 4.772 4.516 1.00 0.00 H new ATOM 0 HG SER A 34 7.897 3.830 5.007 1.00 0.00 H new ATOM 470 N VAL A 35 3.338 3.857 3.811 1.00 0.00 N ATOM 471 CA VAL A 35 1.992 4.401 3.948 1.00 0.00 C ATOM 472 C VAL A 35 2.007 5.718 4.718 1.00 0.00 C ATOM 473 O VAL A 35 2.376 5.758 5.891 1.00 0.00 O ATOM 474 CB VAL A 35 1.056 3.411 4.667 1.00 0.00 C ATOM 475 CG1 VAL A 35 -0.381 3.907 4.623 1.00 0.00 C ATOM 476 CG2 VAL A 35 1.168 2.026 4.049 1.00 0.00 C ATOM 0 H VAL A 35 3.610 3.212 4.553 1.00 0.00 H new ATOM 0 HA VAL A 35 1.618 4.576 2.939 1.00 0.00 H new ATOM 0 HB VAL A 35 1.361 3.344 5.711 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.028 3.195 5.136 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.446 4.877 5.116 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.700 4.005 3.585 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.500 1.340 4.570 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.890 2.074 2.996 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.194 1.670 4.138 1.00 0.00 H new ATOM 486 N GLY A 36 1.603 6.793 4.048 1.00 0.00 N ATOM 487 CA GLY A 36 1.578 8.097 4.685 1.00 0.00 C ATOM 488 C GLY A 36 2.628 9.037 4.128 1.00 0.00 C ATOM 489 O GLY A 36 3.147 9.893 4.843 1.00 0.00 O ATOM 0 H GLY A 36 1.293 6.784 3.076 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.591 8.542 4.555 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.735 7.977 5.757 1.00 0.00 H new ATOM 493 N SER A 37 2.941 8.878 2.845 1.00 0.00 N ATOM 494 CA SER A 37 3.936 9.720 2.192 1.00 0.00 C ATOM 495 C SER A 37 3.359 10.371 0.940 1.00 0.00 C ATOM 496 O SER A 37 2.499 9.799 0.271 1.00 0.00 O ATOM 497 CB SER A 37 5.173 8.896 1.827 1.00 0.00 C ATOM 498 OG SER A 37 6.024 8.729 2.948 1.00 0.00 O ATOM 0 H SER A 37 2.520 8.174 2.238 1.00 0.00 H new ATOM 0 HA SER A 37 4.224 10.506 2.890 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.866 7.920 1.451 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.718 9.390 1.023 1.00 0.00 H new ATOM 0 HG SER A 37 6.910 9.094 2.743 1.00 0.00 H new ATOM 504 N ARG A 38 3.838 11.571 0.630 1.00 0.00 N ATOM 505 CA ARG A 38 3.369 12.301 -0.542 1.00 0.00 C ATOM 506 C ARG A 38 4.091 11.832 -1.801 1.00 0.00 C ATOM 507 O ARG A 38 5.290 12.058 -1.963 1.00 0.00 O ATOM 508 CB ARG A 38 3.581 13.804 -0.351 1.00 0.00 C ATOM 509 CG ARG A 38 2.664 14.420 0.694 1.00 0.00 C ATOM 510 CD ARG A 38 1.289 14.718 0.120 1.00 0.00 C ATOM 511 NE ARG A 38 0.267 14.797 1.161 1.00 0.00 N ATOM 512 CZ ARG A 38 0.082 15.861 1.939 1.00 0.00 C ATOM 513 NH1 ARG A 38 0.848 16.936 1.798 1.00 0.00 N ATOM 514 NH2 ARG A 38 -0.870 15.850 2.861 1.00 0.00 N ATOM 0 H ARG A 38 4.550 12.058 1.174 1.00 0.00 H new ATOM 0 HA ARG A 38 2.304 12.102 -0.660 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.617 13.983 -0.064 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.423 14.309 -1.304 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.567 13.740 1.541 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.109 15.340 1.073 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.321 15.659 -0.429 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.019 13.941 -0.595 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.340 13.989 1.300 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.583 16.949 1.091 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.702 17.749 2.397 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.461 15.026 2.974 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.012 16.665 3.457 1.00 0.00 H new ATOM 528 N CYS A 39 3.351 11.177 -2.691 1.00 0.00 N ATOM 529 CA CYS A 39 3.921 10.676 -3.936 1.00 0.00 C ATOM 530 C CYS A 39 3.135 11.190 -5.138 1.00 0.00 C ATOM 531 O CYS A 39 2.006 11.662 -4.999 1.00 0.00 O ATOM 532 CB CYS A 39 3.932 9.146 -3.938 1.00 0.00 C ATOM 533 SG CYS A 39 4.595 8.413 -2.424 1.00 0.00 S ATOM 0 H CYS A 39 2.357 10.981 -2.573 1.00 0.00 H new ATOM 0 HA CYS A 39 4.946 11.040 -4.010 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.914 8.786 -4.088 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.522 8.798 -4.786 1.00 0.00 H new ATOM 0 HG CYS A 39 3.932 8.860 -1.399 1.00 0.00 H new ATOM 539 N GLU A 40 3.739 11.098 -6.317 1.00 0.00 N ATOM 540 CA GLU A 40 3.096 11.555 -7.544 1.00 0.00 C ATOM 541 C GLU A 40 2.562 10.375 -8.349 1.00 0.00 C ATOM 542 O GLU A 40 3.051 9.252 -8.224 1.00 0.00 O ATOM 543 CB GLU A 40 4.081 12.363 -8.391 1.00 0.00 C ATOM 544 CG GLU A 40 4.432 13.714 -7.792 1.00 0.00 C ATOM 545 CD GLU A 40 5.908 14.040 -7.912 1.00 0.00 C ATOM 546 OE1 GLU A 40 6.519 13.657 -8.932 1.00 0.00 O ATOM 547 OE2 GLU A 40 6.454 14.676 -6.986 1.00 0.00 O ATOM 0 H GLU A 40 4.673 10.711 -6.450 1.00 0.00 H new ATOM 0 HA GLU A 40 2.257 12.194 -7.269 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.995 11.784 -8.521 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.655 12.514 -9.383 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.851 14.490 -8.290 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.145 13.726 -6.740 1.00 0.00 H new ATOM 554 N VAL A 41 1.556 10.637 -9.177 1.00 0.00 N ATOM 555 CA VAL A 41 0.955 9.597 -10.003 1.00 0.00 C ATOM 556 C VAL A 41 0.912 10.016 -11.469 1.00 0.00 C ATOM 557 O VAL A 41 0.628 11.171 -11.786 1.00 0.00 O ATOM 558 CB VAL A 41 -0.475 9.263 -9.533 1.00 0.00 C ATOM 559 CG1 VAL A 41 -1.030 8.078 -10.309 1.00 0.00 C ATOM 560 CG2 VAL A 41 -0.496 8.988 -8.037 1.00 0.00 C ATOM 0 H VAL A 41 1.140 11.561 -9.294 1.00 0.00 H new ATOM 0 HA VAL A 41 1.580 8.710 -9.900 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.112 10.126 -9.729 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.040 7.857 -9.963 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.055 8.319 -11.372 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.393 7.208 -10.149 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.514 8.754 -7.724 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.155 8.143 -7.813 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.145 9.869 -7.500 1.00 0.00 H new ATOM 570 N ARG A 42 1.197 9.070 -12.359 1.00 0.00 N ATOM 571 CA ARG A 42 1.191 9.340 -13.792 1.00 0.00 C ATOM 572 C ARG A 42 0.287 8.356 -14.526 1.00 0.00 C ATOM 573 O ARG A 42 0.552 7.154 -14.550 1.00 0.00 O ATOM 574 CB ARG A 42 2.612 9.263 -14.353 1.00 0.00 C ATOM 575 CG ARG A 42 2.800 10.051 -15.640 1.00 0.00 C ATOM 576 CD ARG A 42 4.268 10.135 -16.032 1.00 0.00 C ATOM 577 NE ARG A 42 4.479 11.027 -17.170 1.00 0.00 N ATOM 578 CZ ARG A 42 4.246 10.684 -18.435 1.00 0.00 C ATOM 579 NH1 ARG A 42 3.793 9.471 -18.728 1.00 0.00 N ATOM 580 NH2 ARG A 42 4.465 11.556 -19.409 1.00 0.00 N ATOM 0 H ARG A 42 1.435 8.109 -12.112 1.00 0.00 H new ATOM 0 HA ARG A 42 0.802 10.347 -13.946 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.311 9.635 -13.603 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.866 8.219 -14.535 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.234 9.579 -16.443 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.397 11.056 -15.515 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.851 10.488 -15.181 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.635 9.139 -16.279 1.00 0.00 H new ATOM 0 HE ARG A 42 4.825 11.968 -16.984 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.622 8.797 -17.982 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.616 9.213 -19.699 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.812 12.490 -19.189 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.287 11.293 -20.378 1.00 0.00 H new ATOM 594 N ALA A 43 -0.782 8.873 -15.123 1.00 0.00 N ATOM 595 CA ALA A 43 -1.724 8.038 -15.858 1.00 0.00 C ATOM 596 C ALA A 43 -2.309 8.789 -17.052 1.00 0.00 C ATOM 597 O ALA A 43 -2.209 10.013 -17.136 1.00 0.00 O ATOM 598 CB ALA A 43 -2.836 7.562 -14.935 1.00 0.00 C ATOM 0 H ALA A 43 -1.017 9.865 -15.112 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.184 7.170 -16.238 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.533 6.939 -15.496 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.407 6.981 -14.118 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.366 8.424 -14.529 1.00 0.00 H new ATOM 604 N PRO A 44 -2.929 8.060 -17.997 1.00 0.00 N ATOM 605 CA PRO A 44 -3.530 8.663 -19.190 1.00 0.00 C ATOM 606 C PRO A 44 -4.841 9.387 -18.888 1.00 0.00 C ATOM 607 O PRO A 44 -5.428 10.015 -19.770 1.00 0.00 O ATOM 608 CB PRO A 44 -3.782 7.459 -20.098 1.00 0.00 C ATOM 609 CG PRO A 44 -3.978 6.318 -19.161 1.00 0.00 C ATOM 610 CD PRO A 44 -3.093 6.594 -17.975 1.00 0.00 C ATOM 0 HA PRO A 44 -2.886 9.425 -19.629 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.660 7.612 -20.725 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.939 7.283 -20.767 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.022 6.238 -18.858 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.710 5.374 -19.635 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.551 6.256 -17.046 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.135 6.082 -18.062 1.00 0.00 H new ATOM 618 N ASP A 45 -5.297 9.298 -17.641 1.00 0.00 N ATOM 619 CA ASP A 45 -6.539 9.947 -17.232 1.00 0.00 C ATOM 620 C ASP A 45 -6.513 11.437 -17.559 1.00 0.00 C ATOM 621 O ASP A 45 -7.311 11.919 -18.363 1.00 0.00 O ATOM 622 CB ASP A 45 -6.771 9.748 -15.733 1.00 0.00 C ATOM 623 CG ASP A 45 -7.133 8.317 -15.388 1.00 0.00 C ATOM 624 OD1 ASP A 45 -6.457 7.396 -15.891 1.00 0.00 O ATOM 625 OD2 ASP A 45 -8.095 8.118 -14.615 1.00 0.00 O ATOM 0 H ASP A 45 -4.825 8.783 -16.897 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.357 9.488 -17.787 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.871 10.034 -15.188 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.569 10.412 -15.401 1.00 0.00 H new ATOM 630 N HIS A 46 -5.592 12.160 -16.933 1.00 0.00 N ATOM 631 CA HIS A 46 -5.463 13.594 -17.160 1.00 0.00 C ATOM 632 C HIS A 46 -3.996 14.014 -17.171 1.00 0.00 C ATOM 633 O HIS A 46 -3.419 14.258 -18.230 1.00 0.00 O ATOM 634 CB HIS A 46 -6.224 14.372 -16.082 1.00 0.00 C ATOM 635 CG HIS A 46 -7.308 15.248 -16.630 1.00 0.00 C ATOM 636 ND1 HIS A 46 -8.639 14.884 -16.638 1.00 0.00 N ATOM 637 CD2 HIS A 46 -7.253 16.478 -17.192 1.00 0.00 C ATOM 638 CE1 HIS A 46 -9.354 15.852 -17.182 1.00 0.00 C ATOM 639 NE2 HIS A 46 -8.538 16.831 -17.526 1.00 0.00 N ATOM 0 H HIS A 46 -4.924 11.777 -16.264 1.00 0.00 H new ATOM 0 HA HIS A 46 -5.893 13.824 -18.135 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -6.661 13.666 -15.376 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.519 14.987 -15.523 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.364 17.071 -17.349 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -10.425 15.844 -17.322 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.816 17.707 -17.968 1.00 0.00 H new ATOM 648 N SER A 47 -3.399 14.098 -15.987 1.00 0.00 N ATOM 649 CA SER A 47 -2.000 14.489 -15.862 1.00 0.00 C ATOM 650 C SER A 47 -1.443 14.093 -14.499 1.00 0.00 C ATOM 651 O SER A 47 -2.114 13.420 -13.715 1.00 0.00 O ATOM 652 CB SER A 47 -1.850 15.998 -16.068 1.00 0.00 C ATOM 653 OG SER A 47 -2.511 16.720 -15.045 1.00 0.00 O ATOM 0 H SER A 47 -3.862 13.900 -15.100 1.00 0.00 H new ATOM 0 HA SER A 47 -1.433 13.965 -16.632 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.793 16.263 -16.080 1.00 0.00 H new ATOM 0 HB3 SER A 47 -2.260 16.278 -17.038 1.00 0.00 H new ATOM 0 HG SER A 47 -2.399 17.681 -15.198 1.00 0.00 H new ATOM 659 N LEU A 48 -0.213 14.513 -14.222 1.00 0.00 N ATOM 660 CA LEU A 48 0.433 14.202 -12.952 1.00 0.00 C ATOM 661 C LEU A 48 -0.363 14.770 -11.781 1.00 0.00 C ATOM 662 O LEU A 48 -0.766 15.933 -11.799 1.00 0.00 O ATOM 663 CB LEU A 48 1.861 14.754 -12.934 1.00 0.00 C ATOM 664 CG LEU A 48 2.956 13.724 -13.218 1.00 0.00 C ATOM 665 CD1 LEU A 48 4.188 14.402 -13.798 1.00 0.00 C ATOM 666 CD2 LEU A 48 3.311 12.963 -11.950 1.00 0.00 C ATOM 0 H LEU A 48 0.356 15.069 -14.860 1.00 0.00 H new ATOM 0 HA LEU A 48 0.470 13.118 -12.847 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.935 15.553 -13.671 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.049 15.202 -11.958 1.00 0.00 H new ATOM 0 HG LEU A 48 2.579 13.012 -13.952 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.957 13.654 -13.994 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.923 14.903 -14.729 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.568 15.136 -13.087 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.091 12.234 -12.169 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.669 13.662 -11.194 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.427 12.446 -11.576 1.00 0.00 H new ATOM 678 N ARG A 49 -0.588 13.941 -10.767 1.00 0.00 N ATOM 679 CA ARG A 49 -1.337 14.361 -9.588 1.00 0.00 C ATOM 680 C ARG A 49 -0.476 14.255 -8.333 1.00 0.00 C ATOM 681 O ARG A 49 0.687 13.856 -8.397 1.00 0.00 O ATOM 682 CB ARG A 49 -2.597 13.508 -9.429 1.00 0.00 C ATOM 683 CG ARG A 49 -3.675 13.821 -10.453 1.00 0.00 C ATOM 684 CD ARG A 49 -5.029 13.284 -10.017 1.00 0.00 C ATOM 685 NE ARG A 49 -5.346 12.010 -10.660 1.00 0.00 N ATOM 686 CZ ARG A 49 -5.798 11.903 -11.908 1.00 0.00 C ATOM 687 NH1 ARG A 49 -5.986 12.989 -12.649 1.00 0.00 N ATOM 688 NH2 ARG A 49 -6.061 10.707 -12.416 1.00 0.00 N ATOM 0 H ARG A 49 -0.263 12.975 -10.738 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.627 15.403 -9.723 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.326 12.455 -9.509 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.003 13.657 -8.429 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.739 14.899 -10.597 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.402 13.386 -11.415 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.037 13.156 -8.935 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.803 14.013 -10.257 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.213 11.154 -10.122 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.784 13.911 -12.263 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.332 12.901 -13.604 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.917 9.870 -11.851 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.407 10.624 -13.372 1.00 0.00 H new ATOM 702 N ARG A 50 -1.057 14.614 -7.192 1.00 0.00 N ATOM 703 CA ARG A 50 -0.344 14.559 -5.921 1.00 0.00 C ATOM 704 C ARG A 50 -1.258 14.067 -4.805 1.00 0.00 C ATOM 705 O ARG A 50 -2.295 14.670 -4.528 1.00 0.00 O ATOM 706 CB ARG A 50 0.219 15.937 -5.568 1.00 0.00 C ATOM 707 CG ARG A 50 1.527 16.261 -6.272 1.00 0.00 C ATOM 708 CD ARG A 50 2.725 15.965 -5.385 1.00 0.00 C ATOM 709 NE ARG A 50 3.796 16.941 -5.567 1.00 0.00 N ATOM 710 CZ ARG A 50 3.688 18.229 -5.249 1.00 0.00 C ATOM 711 NH1 ARG A 50 2.559 18.700 -4.733 1.00 0.00 N ATOM 712 NH2 ARG A 50 4.711 19.049 -5.447 1.00 0.00 N ATOM 0 H ARG A 50 -2.019 14.946 -7.122 1.00 0.00 H new ATOM 0 HA ARG A 50 0.481 13.854 -6.026 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.519 16.698 -5.823 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.373 15.992 -4.490 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.601 15.679 -7.191 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.536 17.313 -6.559 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.411 15.962 -4.341 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.103 14.967 -5.607 1.00 0.00 H new ATOM 0 HE ARG A 50 4.679 16.616 -5.961 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.769 18.074 -4.578 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.482 19.688 -4.491 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.581 18.693 -5.843 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.628 20.036 -5.203 1.00 0.00 H new ATOM 726 N GLY A 51 -0.868 12.969 -4.166 1.00 0.00 N ATOM 727 CA GLY A 51 -1.664 12.415 -3.087 1.00 0.00 C ATOM 728 C GLY A 51 -0.812 11.786 -2.002 1.00 0.00 C ATOM 729 O GLY A 51 0.338 12.175 -1.803 1.00 0.00 O ATOM 0 H GLY A 51 -0.014 12.453 -4.377 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.278 13.203 -2.651 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.345 11.666 -3.490 1.00 0.00 H new ATOM 733 N THR A 52 -1.380 10.812 -1.297 1.00 0.00 N ATOM 734 CA THR A 52 -0.666 10.128 -0.226 1.00 0.00 C ATOM 735 C THR A 52 -0.993 8.639 -0.218 1.00 0.00 C ATOM 736 O THR A 52 -2.101 8.235 -0.566 1.00 0.00 O ATOM 737 CB THR A 52 -1.020 10.747 1.127 1.00 0.00 C ATOM 738 OG1 THR A 52 -1.142 12.154 1.019 1.00 0.00 O ATOM 739 CG2 THR A 52 0.001 10.456 2.205 1.00 0.00 C ATOM 0 H THR A 52 -2.332 10.479 -1.449 1.00 0.00 H new ATOM 0 HA THR A 52 0.403 10.245 -0.403 1.00 0.00 H new ATOM 0 HB THR A 52 -1.967 10.289 1.414 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.523 12.514 1.847 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.312 10.924 3.138 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.081 9.379 2.349 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.970 10.855 1.906 1.00 0.00 H new ATOM 747 N VAL A 53 -0.020 7.827 0.183 1.00 0.00 N ATOM 748 CA VAL A 53 -0.204 6.382 0.237 1.00 0.00 C ATOM 749 C VAL A 53 -1.076 5.985 1.423 1.00 0.00 C ATOM 750 O VAL A 53 -0.856 6.437 2.547 1.00 0.00 O ATOM 751 CB VAL A 53 1.145 5.645 0.336 1.00 0.00 C ATOM 752 CG1 VAL A 53 0.945 4.142 0.222 1.00 0.00 C ATOM 753 CG2 VAL A 53 2.107 6.144 -0.734 1.00 0.00 C ATOM 0 H VAL A 53 0.904 8.146 0.475 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.699 6.091 -0.690 1.00 0.00 H new ATOM 0 HB VAL A 53 1.581 5.857 1.312 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.910 3.640 0.294 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.296 3.799 1.028 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.485 3.908 -0.738 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.054 5.612 -0.648 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.679 5.966 -1.720 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.278 7.212 -0.600 1.00 0.00 H new ATOM 763 N MET A 54 -2.067 5.137 1.165 1.00 0.00 N ATOM 764 CA MET A 54 -2.972 4.678 2.213 1.00 0.00 C ATOM 765 C MET A 54 -2.899 3.163 2.370 1.00 0.00 C ATOM 766 O MET A 54 -2.902 2.643 3.486 1.00 0.00 O ATOM 767 CB MET A 54 -4.409 5.100 1.897 1.00 0.00 C ATOM 768 CG MET A 54 -4.527 6.525 1.381 1.00 0.00 C ATOM 769 SD MET A 54 -4.553 6.612 -0.419 1.00 0.00 S ATOM 770 CE MET A 54 -6.230 6.084 -0.761 1.00 0.00 C ATOM 0 H MET A 54 -2.264 4.754 0.240 1.00 0.00 H new ATOM 0 HA MET A 54 -2.663 5.138 3.151 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.824 4.418 1.154 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.015 4.997 2.797 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.437 6.976 1.776 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.691 7.114 1.757 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.607 6.613 -1.637 1.00 0.00 H new ATOM 0 HE2 MET A 54 -6.242 5.011 -0.952 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.864 6.306 0.098 1.00 0.00 H new ATOM 780 N TYR A 55 -2.834 2.459 1.244 1.00 0.00 N ATOM 781 CA TYR A 55 -2.761 1.003 1.256 1.00 0.00 C ATOM 782 C TYR A 55 -1.727 0.502 0.253 1.00 0.00 C ATOM 783 O TYR A 55 -1.718 0.918 -0.905 1.00 0.00 O ATOM 784 CB TYR A 55 -4.130 0.400 0.938 1.00 0.00 C ATOM 785 CG TYR A 55 -4.319 -0.996 1.490 1.00 0.00 C ATOM 786 CD1 TYR A 55 -3.801 -2.102 0.828 1.00 0.00 C ATOM 787 CD2 TYR A 55 -5.017 -1.207 2.673 1.00 0.00 C ATOM 788 CE1 TYR A 55 -3.973 -3.377 1.330 1.00 0.00 C ATOM 789 CE2 TYR A 55 -5.193 -2.480 3.180 1.00 0.00 C ATOM 790 CZ TYR A 55 -4.669 -3.562 2.505 1.00 0.00 C ATOM 791 OH TYR A 55 -4.842 -4.831 3.008 1.00 0.00 O ATOM 0 H TYR A 55 -2.830 2.874 0.312 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.456 0.688 2.254 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.907 1.050 1.342 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.265 0.376 -0.143 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.255 -1.963 -0.094 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.429 -0.362 3.205 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.563 -4.226 0.803 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.738 -2.627 4.101 1.00 0.00 H new ATOM 0 HH TYR A 55 -5.354 -4.785 3.843 1.00 0.00 H new ATOM 801 N VAL A 56 -0.856 -0.393 0.708 1.00 0.00 N ATOM 802 CA VAL A 56 0.182 -0.952 -0.150 1.00 0.00 C ATOM 803 C VAL A 56 0.223 -2.473 -0.043 1.00 0.00 C ATOM 804 O VAL A 56 0.445 -3.023 1.036 1.00 0.00 O ATOM 805 CB VAL A 56 1.569 -0.385 0.209 1.00 0.00 C ATOM 806 CG1 VAL A 56 2.618 -0.866 -0.784 1.00 0.00 C ATOM 807 CG2 VAL A 56 1.530 1.135 0.258 1.00 0.00 C ATOM 0 H VAL A 56 -0.848 -0.746 1.665 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.065 -0.670 -1.173 1.00 0.00 H new ATOM 0 HB VAL A 56 1.844 -0.751 1.198 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.591 -0.455 -0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.666 -1.955 -0.764 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.350 -0.533 -1.787 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.519 1.516 0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.232 1.523 -0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.812 1.456 1.012 1.00 0.00 H new ATOM 817 N GLY A 57 0.005 -3.145 -1.168 1.00 0.00 N ATOM 818 CA GLY A 57 0.020 -4.596 -1.179 1.00 0.00 C ATOM 819 C GLY A 57 -0.777 -5.176 -2.331 1.00 0.00 C ATOM 820 O GLY A 57 -0.995 -4.509 -3.342 1.00 0.00 O ATOM 0 H GLY A 57 -0.182 -2.711 -2.072 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.051 -4.945 -1.242 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.385 -4.968 -0.238 1.00 0.00 H new ATOM 824 N LEU A 58 -1.213 -6.422 -2.178 1.00 0.00 N ATOM 825 CA LEU A 58 -1.991 -7.092 -3.214 1.00 0.00 C ATOM 826 C LEU A 58 -3.445 -6.633 -3.185 1.00 0.00 C ATOM 827 O LEU A 58 -3.814 -5.755 -2.405 1.00 0.00 O ATOM 828 CB LEU A 58 -1.918 -8.610 -3.033 1.00 0.00 C ATOM 829 CG LEU A 58 -0.508 -9.176 -2.865 1.00 0.00 C ATOM 830 CD1 LEU A 58 -0.565 -10.608 -2.355 1.00 0.00 C ATOM 831 CD2 LEU A 58 0.254 -9.107 -4.181 1.00 0.00 C ATOM 0 H LEU A 58 -1.041 -6.988 -1.347 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.566 -6.828 -4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.510 -8.885 -2.160 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.383 -9.086 -3.896 1.00 0.00 H new ATOM 0 HG LEU A 58 0.021 -8.571 -2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.448 -10.994 -2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.072 -10.631 -1.391 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.112 -11.226 -3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.256 -9.514 -4.043 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.273 -9.688 -4.938 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.326 -8.069 -4.506 1.00 0.00 H new ATOM 843 N THR A 59 -4.266 -7.232 -4.041 1.00 0.00 N ATOM 844 CA THR A 59 -5.680 -6.884 -4.114 1.00 0.00 C ATOM 845 C THR A 59 -6.535 -8.127 -4.336 1.00 0.00 C ATOM 846 O THR A 59 -6.021 -9.244 -4.396 1.00 0.00 O ATOM 847 CB THR A 59 -5.921 -5.877 -5.238 1.00 0.00 C ATOM 848 OG1 THR A 59 -5.291 -6.299 -6.434 1.00 0.00 O ATOM 849 CG2 THR A 59 -5.412 -4.488 -4.916 1.00 0.00 C ATOM 0 H THR A 59 -3.977 -7.960 -4.694 1.00 0.00 H new ATOM 0 HA THR A 59 -5.967 -6.433 -3.164 1.00 0.00 H new ATOM 0 HB THR A 59 -7.003 -5.831 -5.357 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.695 -5.591 -6.757 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.615 -3.823 -5.755 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.917 -4.113 -4.026 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.338 -4.527 -4.735 1.00 0.00 H new ATOM 857 N ASP A 60 -7.843 -7.926 -4.459 1.00 0.00 N ATOM 858 CA ASP A 60 -8.769 -9.032 -4.674 1.00 0.00 C ATOM 859 C ASP A 60 -9.560 -8.845 -5.967 1.00 0.00 C ATOM 860 O ASP A 60 -10.660 -9.378 -6.113 1.00 0.00 O ATOM 861 CB ASP A 60 -9.730 -9.157 -3.491 1.00 0.00 C ATOM 862 CG ASP A 60 -9.075 -9.790 -2.279 1.00 0.00 C ATOM 863 OD1 ASP A 60 -8.207 -9.137 -1.663 1.00 0.00 O ATOM 864 OD2 ASP A 60 -9.431 -10.941 -1.946 1.00 0.00 O ATOM 0 H ASP A 60 -8.285 -7.008 -4.414 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.183 -9.947 -4.759 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.104 -8.169 -3.224 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.592 -9.754 -3.788 1.00 0.00 H new ATOM 869 N PHE A 61 -8.994 -8.089 -6.902 1.00 0.00 N ATOM 870 CA PHE A 61 -9.651 -7.839 -8.180 1.00 0.00 C ATOM 871 C PHE A 61 -8.696 -8.089 -9.345 1.00 0.00 C ATOM 872 O PHE A 61 -9.070 -8.702 -10.344 1.00 0.00 O ATOM 873 CB PHE A 61 -10.188 -6.406 -8.237 1.00 0.00 C ATOM 874 CG PHE A 61 -9.141 -5.355 -8.003 1.00 0.00 C ATOM 875 CD1 PHE A 61 -8.341 -4.912 -9.044 1.00 0.00 C ATOM 876 CD2 PHE A 61 -8.959 -4.806 -6.744 1.00 0.00 C ATOM 877 CE1 PHE A 61 -7.379 -3.943 -8.833 1.00 0.00 C ATOM 878 CE2 PHE A 61 -7.999 -3.836 -6.527 1.00 0.00 C ATOM 879 CZ PHE A 61 -7.208 -3.404 -7.574 1.00 0.00 C ATOM 0 H PHE A 61 -8.084 -7.640 -6.799 1.00 0.00 H new ATOM 0 HA PHE A 61 -10.488 -8.532 -8.268 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -10.646 -6.238 -9.212 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -10.975 -6.293 -7.492 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -8.471 -5.329 -10.032 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.575 -5.140 -5.922 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.761 -3.608 -9.653 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.867 -3.416 -5.541 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.457 -2.646 -7.408 1.00 0.00 H new ATOM 889 N LYS A 62 -7.461 -7.616 -9.208 1.00 0.00 N ATOM 890 CA LYS A 62 -6.454 -7.796 -10.249 1.00 0.00 C ATOM 891 C LYS A 62 -5.137 -8.287 -9.652 1.00 0.00 C ATOM 892 O LYS A 62 -4.786 -7.930 -8.527 1.00 0.00 O ATOM 893 CB LYS A 62 -6.228 -6.486 -11.006 1.00 0.00 C ATOM 894 CG LYS A 62 -7.182 -6.283 -12.172 1.00 0.00 C ATOM 895 CD LYS A 62 -6.846 -5.025 -12.954 1.00 0.00 C ATOM 896 CE LYS A 62 -7.588 -3.814 -12.410 1.00 0.00 C ATOM 897 NZ LYS A 62 -7.846 -2.799 -13.468 1.00 0.00 N ATOM 0 H LYS A 62 -7.134 -7.106 -8.388 1.00 0.00 H new ATOM 0 HA LYS A 62 -6.820 -8.549 -10.946 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.334 -5.652 -10.312 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.204 -6.463 -11.378 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.137 -7.147 -12.835 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.205 -6.219 -11.800 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.772 -4.844 -12.910 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.103 -5.169 -14.004 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -8.535 -4.134 -11.975 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.005 -3.362 -11.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.353 -1.990 -13.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.942 -2.475 -13.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.424 -3.223 -14.222 1.00 0.00 H new ATOM 911 N PRO A 63 -4.389 -9.117 -10.400 1.00 0.00 N ATOM 912 CA PRO A 63 -3.106 -9.655 -9.937 1.00 0.00 C ATOM 913 C PRO A 63 -2.008 -8.597 -9.908 1.00 0.00 C ATOM 914 O PRO A 63 -1.969 -7.706 -10.757 1.00 0.00 O ATOM 915 CB PRO A 63 -2.782 -10.734 -10.971 1.00 0.00 C ATOM 916 CG PRO A 63 -3.479 -10.291 -12.209 1.00 0.00 C ATOM 917 CD PRO A 63 -4.733 -9.594 -11.754 1.00 0.00 C ATOM 0 HA PRO A 63 -3.166 -10.028 -8.915 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.707 -10.820 -11.131 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.135 -11.713 -10.646 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.849 -9.619 -12.792 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.716 -11.141 -12.849 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.996 -8.769 -12.416 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.586 -10.273 -11.736 1.00 0.00 H new ATOM 925 N GLY A 64 -1.120 -8.700 -8.925 1.00 0.00 N ATOM 926 CA GLY A 64 -0.033 -7.746 -8.803 1.00 0.00 C ATOM 927 C GLY A 64 -0.157 -6.880 -7.565 1.00 0.00 C ATOM 928 O GLY A 64 -1.040 -7.096 -6.734 1.00 0.00 O ATOM 0 H GLY A 64 -1.134 -9.427 -8.210 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.915 -8.282 -8.774 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.012 -7.109 -9.687 1.00 0.00 H new ATOM 932 N TYR A 65 0.731 -5.899 -7.441 1.00 0.00 N ATOM 933 CA TYR A 65 0.717 -4.998 -6.294 1.00 0.00 C ATOM 934 C TYR A 65 0.084 -3.659 -6.661 1.00 0.00 C ATOM 935 O TYR A 65 0.331 -3.119 -7.740 1.00 0.00 O ATOM 936 CB TYR A 65 2.139 -4.777 -5.776 1.00 0.00 C ATOM 937 CG TYR A 65 2.647 -5.902 -4.903 1.00 0.00 C ATOM 938 CD1 TYR A 65 2.316 -5.963 -3.555 1.00 0.00 C ATOM 939 CD2 TYR A 65 3.459 -6.901 -5.425 1.00 0.00 C ATOM 940 CE1 TYR A 65 2.779 -6.988 -2.753 1.00 0.00 C ATOM 941 CE2 TYR A 65 3.926 -7.930 -4.628 1.00 0.00 C ATOM 942 CZ TYR A 65 3.583 -7.968 -3.293 1.00 0.00 C ATOM 943 OH TYR A 65 4.045 -8.990 -2.497 1.00 0.00 O ATOM 0 H TYR A 65 1.468 -5.708 -8.119 1.00 0.00 H new ATOM 0 HA TYR A 65 0.118 -5.459 -5.509 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.811 -4.655 -6.625 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.170 -3.846 -5.209 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.687 -5.197 -3.127 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.730 -6.874 -6.470 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.512 -7.021 -1.707 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.556 -8.700 -5.049 1.00 0.00 H new ATOM 0 HH TYR A 65 4.164 -9.798 -3.038 1.00 0.00 H new ATOM 953 N TRP A 66 -0.735 -3.130 -5.759 1.00 0.00 N ATOM 954 CA TRP A 66 -1.405 -1.854 -5.987 1.00 0.00 C ATOM 955 C TRP A 66 -1.101 -0.872 -4.861 1.00 0.00 C ATOM 956 O TRP A 66 -0.884 -1.270 -3.717 1.00 0.00 O ATOM 957 CB TRP A 66 -2.916 -2.060 -6.105 1.00 0.00 C ATOM 958 CG TRP A 66 -3.321 -2.776 -7.358 1.00 0.00 C ATOM 959 CD1 TRP A 66 -3.271 -4.122 -7.587 1.00 0.00 C ATOM 960 CD2 TRP A 66 -3.839 -2.184 -8.556 1.00 0.00 C ATOM 961 NE1 TRP A 66 -3.725 -4.401 -8.853 1.00 0.00 N ATOM 962 CE2 TRP A 66 -4.080 -3.229 -9.467 1.00 0.00 C ATOM 963 CE3 TRP A 66 -4.122 -0.872 -8.945 1.00 0.00 C ATOM 964 CZ2 TRP A 66 -4.591 -3.001 -10.743 1.00 0.00 C ATOM 965 CZ3 TRP A 66 -4.628 -0.647 -10.210 1.00 0.00 C ATOM 966 CH2 TRP A 66 -4.859 -1.706 -11.097 1.00 0.00 C ATOM 0 H TRP A 66 -0.951 -3.565 -4.862 1.00 0.00 H new ATOM 0 HA TRP A 66 -1.029 -1.437 -6.921 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -3.267 -2.626 -5.242 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -3.412 -1.090 -6.073 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -2.925 -4.859 -6.877 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -3.788 -5.330 -9.269 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.948 -0.049 -8.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -4.769 -3.817 -11.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -4.850 0.363 -10.521 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -5.256 -1.497 -12.079 1.00 0.00 H new ATOM 977 N VAL A 67 -1.088 0.416 -5.193 1.00 0.00 N ATOM 978 CA VAL A 67 -0.812 1.455 -4.209 1.00 0.00 C ATOM 979 C VAL A 67 -1.885 2.539 -4.238 1.00 0.00 C ATOM 980 O VAL A 67 -2.010 3.276 -5.216 1.00 0.00 O ATOM 981 CB VAL A 67 0.563 2.106 -4.449 1.00 0.00 C ATOM 982 CG1 VAL A 67 0.920 3.039 -3.303 1.00 0.00 C ATOM 983 CG2 VAL A 67 1.635 1.041 -4.631 1.00 0.00 C ATOM 0 H VAL A 67 -1.265 0.764 -6.135 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.812 0.972 -3.232 1.00 0.00 H new ATOM 0 HB VAL A 67 0.509 2.695 -5.364 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.895 3.489 -3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.167 3.823 -3.224 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.955 2.474 -2.371 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.599 1.520 -4.799 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.689 0.422 -3.735 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.386 0.417 -5.489 1.00 0.00 H new ATOM 993 N GLY A 68 -2.657 2.628 -3.160 1.00 0.00 N ATOM 994 CA GLY A 68 -3.709 3.624 -3.083 1.00 0.00 C ATOM 995 C GLY A 68 -3.172 5.018 -2.831 1.00 0.00 C ATOM 996 O GLY A 68 -2.368 5.226 -1.922 1.00 0.00 O ATOM 0 H GLY A 68 -2.573 2.029 -2.339 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.277 3.620 -4.013 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.401 3.355 -2.285 1.00 0.00 H new ATOM 1000 N VAL A 69 -3.614 5.977 -3.638 1.00 0.00 N ATOM 1001 CA VAL A 69 -3.172 7.359 -3.499 1.00 0.00 C ATOM 1002 C VAL A 69 -4.361 8.305 -3.359 1.00 0.00 C ATOM 1003 O VAL A 69 -5.212 8.382 -4.245 1.00 0.00 O ATOM 1004 CB VAL A 69 -2.320 7.801 -4.703 1.00 0.00 C ATOM 1005 CG1 VAL A 69 -1.702 9.168 -4.448 1.00 0.00 C ATOM 1006 CG2 VAL A 69 -1.244 6.769 -5.002 1.00 0.00 C ATOM 0 H VAL A 69 -4.279 5.822 -4.396 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.564 7.406 -2.596 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.969 7.879 -5.575 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.104 9.463 -5.310 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.493 9.901 -4.287 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.066 9.121 -3.564 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.652 7.098 -5.856 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.596 6.656 -4.133 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.712 5.812 -5.232 1.00 0.00 H new ATOM 1016 N ARG A 70 -4.412 9.023 -2.242 1.00 0.00 N ATOM 1017 CA ARG A 70 -5.496 9.963 -1.987 1.00 0.00 C ATOM 1018 C ARG A 70 -5.087 11.383 -2.370 1.00 0.00 C ATOM 1019 O ARG A 70 -4.091 11.906 -1.873 1.00 0.00 O ATOM 1020 CB ARG A 70 -5.903 9.918 -0.513 1.00 0.00 C ATOM 1021 CG ARG A 70 -7.246 10.574 -0.230 1.00 0.00 C ATOM 1022 CD ARG A 70 -7.136 11.631 0.857 1.00 0.00 C ATOM 1023 NE ARG A 70 -6.115 12.629 0.549 1.00 0.00 N ATOM 1024 CZ ARG A 70 -6.049 13.826 1.128 1.00 0.00 C ATOM 1025 NH1 ARG A 70 -6.940 14.178 2.046 1.00 0.00 N ATOM 1026 NH2 ARG A 70 -5.087 14.674 0.787 1.00 0.00 N ATOM 0 H ARG A 70 -3.715 8.971 -1.499 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.348 9.671 -2.601 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.940 8.879 -0.187 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.135 10.411 0.082 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.628 11.029 -1.143 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.966 9.814 0.073 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.100 12.125 0.981 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.899 11.151 1.807 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.411 12.395 -0.151 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.681 13.530 2.312 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.884 15.097 2.486 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.399 14.408 0.082 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.035 15.591 1.230 1.00 0.00 H new ATOM 1040 N TYR A 71 -5.865 11.998 -3.255 1.00 0.00 N ATOM 1041 CA TYR A 71 -5.583 13.357 -3.703 1.00 0.00 C ATOM 1042 C TYR A 71 -6.358 14.375 -2.872 1.00 0.00 C ATOM 1043 O TYR A 71 -7.456 14.093 -2.394 1.00 0.00 O ATOM 1044 CB TYR A 71 -5.937 13.513 -5.183 1.00 0.00 C ATOM 1045 CG TYR A 71 -5.355 12.429 -6.063 1.00 0.00 C ATOM 1046 CD1 TYR A 71 -3.983 12.214 -6.116 1.00 0.00 C ATOM 1047 CD2 TYR A 71 -6.177 11.622 -6.840 1.00 0.00 C ATOM 1048 CE1 TYR A 71 -3.448 11.225 -6.919 1.00 0.00 C ATOM 1049 CE2 TYR A 71 -5.648 10.632 -7.645 1.00 0.00 C ATOM 1050 CZ TYR A 71 -4.284 10.438 -7.682 1.00 0.00 C ATOM 1051 OH TYR A 71 -3.753 9.452 -8.483 1.00 0.00 O ATOM 0 H TYR A 71 -6.694 11.578 -3.675 1.00 0.00 H new ATOM 0 HA TYR A 71 -4.517 13.543 -3.571 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.022 13.513 -5.290 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.582 14.483 -5.533 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.325 12.829 -5.520 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.246 11.771 -6.814 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.380 11.069 -6.949 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.300 10.013 -8.243 1.00 0.00 H new ATOM 0 HH TYR A 71 -4.477 8.988 -8.954 1.00 0.00 H new ATOM 1061 N ASP A 72 -5.780 15.560 -2.706 1.00 0.00 N ATOM 1062 CA ASP A 72 -6.417 16.620 -1.934 1.00 0.00 C ATOM 1063 C ASP A 72 -7.764 17.000 -2.540 1.00 0.00 C ATOM 1064 O ASP A 72 -8.754 17.159 -1.827 1.00 0.00 O ATOM 1065 CB ASP A 72 -5.508 17.849 -1.869 1.00 0.00 C ATOM 1066 CG ASP A 72 -4.592 17.827 -0.661 1.00 0.00 C ATOM 1067 OD1 ASP A 72 -5.096 17.615 0.462 1.00 0.00 O ATOM 1068 OD2 ASP A 72 -3.371 18.022 -0.838 1.00 0.00 O ATOM 0 H ASP A 72 -4.871 15.810 -3.096 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.586 16.248 -0.923 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.907 17.901 -2.777 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.121 18.750 -1.840 1.00 0.00 H new ATOM 1073 N GLU A 73 -7.793 17.144 -3.861 1.00 0.00 N ATOM 1074 CA GLU A 73 -9.019 17.505 -4.563 1.00 0.00 C ATOM 1075 C GLU A 73 -9.678 16.271 -5.175 1.00 0.00 C ATOM 1076 O GLU A 73 -9.061 15.210 -5.268 1.00 0.00 O ATOM 1077 CB GLU A 73 -8.721 18.536 -5.654 1.00 0.00 C ATOM 1078 CG GLU A 73 -9.024 19.966 -5.238 1.00 0.00 C ATOM 1079 CD GLU A 73 -8.138 20.976 -5.939 1.00 0.00 C ATOM 1080 OE1 GLU A 73 -7.564 20.633 -6.993 1.00 0.00 O ATOM 1081 OE2 GLU A 73 -8.017 22.113 -5.434 1.00 0.00 O ATOM 0 H GLU A 73 -6.982 17.016 -4.466 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.709 17.941 -3.841 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.670 18.463 -5.934 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.305 18.293 -6.541 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.068 20.191 -5.456 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.896 20.062 -4.160 1.00 0.00 H new ATOM 1088 N PRO A 74 -10.947 16.394 -5.603 1.00 0.00 N ATOM 1089 CA PRO A 74 -11.687 15.283 -6.210 1.00 0.00 C ATOM 1090 C PRO A 74 -11.112 14.874 -7.562 1.00 0.00 C ATOM 1091 O PRO A 74 -11.609 15.288 -8.609 1.00 0.00 O ATOM 1092 CB PRO A 74 -13.103 15.841 -6.375 1.00 0.00 C ATOM 1093 CG PRO A 74 -12.925 17.319 -6.426 1.00 0.00 C ATOM 1094 CD PRO A 74 -11.757 17.624 -5.532 1.00 0.00 C ATOM 0 HA PRO A 74 -11.641 14.382 -5.598 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.572 15.467 -7.285 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.743 15.548 -5.543 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -12.735 17.655 -7.445 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.823 17.833 -6.084 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.200 18.494 -5.880 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -12.076 17.838 -4.512 1.00 0.00 H new ATOM 1102 N LEU A 75 -10.063 14.058 -7.531 1.00 0.00 N ATOM 1103 CA LEU A 75 -9.420 13.593 -8.754 1.00 0.00 C ATOM 1104 C LEU A 75 -9.086 12.108 -8.660 1.00 0.00 C ATOM 1105 O LEU A 75 -8.107 11.643 -9.243 1.00 0.00 O ATOM 1106 CB LEU A 75 -8.148 14.398 -9.025 1.00 0.00 C ATOM 1107 CG LEU A 75 -8.317 15.916 -8.971 1.00 0.00 C ATOM 1108 CD1 LEU A 75 -6.966 16.600 -8.833 1.00 0.00 C ATOM 1109 CD2 LEU A 75 -9.046 16.417 -10.209 1.00 0.00 C ATOM 0 H LEU A 75 -9.641 13.705 -6.672 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.116 13.740 -9.580 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.390 14.106 -8.298 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.767 14.125 -10.009 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.917 16.163 -8.095 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.107 17.680 -8.796 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.481 16.266 -7.916 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.340 16.345 -9.688 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.157 17.500 -10.153 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.473 16.157 -11.099 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.031 15.954 -10.264 1.00 0.00 H new ATOM 1121 N GLY A 76 -9.907 11.367 -7.921 1.00 0.00 N ATOM 1122 CA GLY A 76 -9.681 9.941 -7.764 1.00 0.00 C ATOM 1123 C GLY A 76 -10.597 9.109 -8.639 1.00 0.00 C ATOM 1124 O GLY A 76 -11.379 9.649 -9.421 1.00 0.00 O ATOM 0 H GLY A 76 -10.724 11.728 -7.429 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.644 9.712 -8.008 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.831 9.665 -6.720 1.00 0.00 H new ATOM 1128 N LYS A 77 -10.500 7.789 -8.507 1.00 0.00 N ATOM 1129 CA LYS A 77 -11.327 6.880 -9.292 1.00 0.00 C ATOM 1130 C LYS A 77 -12.151 5.971 -8.386 1.00 0.00 C ATOM 1131 O LYS A 77 -13.334 5.740 -8.632 1.00 0.00 O ATOM 1132 CB LYS A 77 -10.450 6.036 -10.220 1.00 0.00 C ATOM 1133 CG LYS A 77 -9.630 6.859 -11.199 1.00 0.00 C ATOM 1134 CD LYS A 77 -10.517 7.565 -12.212 1.00 0.00 C ATOM 1135 CE LYS A 77 -11.068 6.595 -13.246 1.00 0.00 C ATOM 1136 NZ LYS A 77 -12.549 6.691 -13.363 1.00 0.00 N ATOM 0 H LYS A 77 -9.857 7.326 -7.864 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.012 7.478 -9.893 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -9.776 5.429 -9.616 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.084 5.348 -10.779 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.041 7.596 -10.653 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -8.925 6.211 -11.720 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.343 8.054 -11.695 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.947 8.347 -12.713 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.613 6.800 -14.215 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.791 5.577 -12.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -12.885 6.014 -14.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.985 6.470 -12.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.813 7.656 -13.649 1.00 0.00 H new ATOM 1150 N ASN A 78 -11.517 5.458 -7.335 1.00 0.00 N ATOM 1151 CA ASN A 78 -12.192 4.575 -6.392 1.00 0.00 C ATOM 1152 C ASN A 78 -12.414 5.274 -5.055 1.00 0.00 C ATOM 1153 O ASN A 78 -11.711 6.225 -4.716 1.00 0.00 O ATOM 1154 CB ASN A 78 -11.377 3.297 -6.184 1.00 0.00 C ATOM 1155 CG ASN A 78 -11.368 2.411 -7.414 1.00 0.00 C ATOM 1156 OD1 ASN A 78 -11.965 1.335 -7.425 1.00 0.00 O ATOM 1157 ND2 ASN A 78 -10.686 2.862 -8.462 1.00 0.00 N ATOM 0 H ASN A 78 -10.537 5.639 -7.116 1.00 0.00 H new ATOM 0 HA ASN A 78 -13.164 4.313 -6.810 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -10.352 3.561 -5.922 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -11.788 2.740 -5.342 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -10.643 2.310 -9.319 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -10.205 3.760 -8.410 1.00 0.00 H new ATOM 1164 N ASP A 79 -13.396 4.794 -4.299 1.00 0.00 N ATOM 1165 CA ASP A 79 -13.711 5.372 -2.998 1.00 0.00 C ATOM 1166 C ASP A 79 -13.004 4.615 -1.879 1.00 0.00 C ATOM 1167 O ASP A 79 -12.661 5.191 -0.846 1.00 0.00 O ATOM 1168 CB ASP A 79 -15.222 5.360 -2.763 1.00 0.00 C ATOM 1169 CG ASP A 79 -15.826 3.982 -2.962 1.00 0.00 C ATOM 1170 OD1 ASP A 79 -15.360 3.029 -2.304 1.00 0.00 O ATOM 1171 OD2 ASP A 79 -16.766 3.858 -3.775 1.00 0.00 O ATOM 0 H ASP A 79 -13.987 4.006 -4.565 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.358 6.403 -2.993 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.432 5.703 -1.750 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -15.699 6.065 -3.444 1.00 0.00 H new ATOM 1176 N GLY A 80 -12.787 3.321 -2.092 1.00 0.00 N ATOM 1177 CA GLY A 80 -12.121 2.507 -1.092 1.00 0.00 C ATOM 1178 C GLY A 80 -12.521 1.047 -1.172 1.00 0.00 C ATOM 1179 O GLY A 80 -11.745 0.163 -0.806 1.00 0.00 O ATOM 0 H GLY A 80 -13.060 2.822 -2.939 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -11.042 2.592 -1.219 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.357 2.891 -0.100 1.00 0.00 H new ATOM 1183 N SER A 81 -13.734 0.792 -1.651 1.00 0.00 N ATOM 1184 CA SER A 81 -14.234 -0.572 -1.777 1.00 0.00 C ATOM 1185 C SER A 81 -14.202 -1.032 -3.231 1.00 0.00 C ATOM 1186 O SER A 81 -14.882 -0.466 -4.088 1.00 0.00 O ATOM 1187 CB SER A 81 -15.661 -0.666 -1.232 1.00 0.00 C ATOM 1188 OG SER A 81 -16.417 0.483 -1.575 1.00 0.00 O ATOM 0 H SER A 81 -14.389 1.511 -1.958 1.00 0.00 H new ATOM 0 HA SER A 81 -13.585 -1.225 -1.194 1.00 0.00 H new ATOM 0 HB2 SER A 81 -16.147 -1.557 -1.630 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.633 -0.776 -0.148 1.00 0.00 H new ATOM 0 HG SER A 81 -17.325 0.396 -1.216 1.00 0.00 H new ATOM 1194 N VAL A 82 -13.408 -2.063 -3.501 1.00 0.00 N ATOM 1195 CA VAL A 82 -13.286 -2.600 -4.852 1.00 0.00 C ATOM 1196 C VAL A 82 -13.658 -4.078 -4.890 1.00 0.00 C ATOM 1197 O VAL A 82 -12.937 -4.924 -4.359 1.00 0.00 O ATOM 1198 CB VAL A 82 -11.857 -2.428 -5.401 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -11.792 -2.836 -6.865 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -11.381 -0.994 -5.218 1.00 0.00 C ATOM 0 H VAL A 82 -12.840 -2.543 -2.803 1.00 0.00 H new ATOM 0 HA VAL A 82 -13.977 -2.036 -5.479 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.192 -3.082 -4.836 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -10.774 -2.707 -7.234 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -12.084 -3.881 -6.965 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -12.471 -2.212 -7.447 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.370 -0.893 -5.612 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -12.048 -0.318 -5.753 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -11.384 -0.742 -4.157 1.00 0.00 H new ATOM 1210 N ASN A 83 -14.788 -4.383 -5.519 1.00 0.00 N ATOM 1211 CA ASN A 83 -15.257 -5.760 -5.626 1.00 0.00 C ATOM 1212 C ASN A 83 -15.509 -6.355 -4.246 1.00 0.00 C ATOM 1213 O ASN A 83 -15.352 -7.558 -4.037 1.00 0.00 O ATOM 1214 CB ASN A 83 -14.238 -6.611 -6.385 1.00 0.00 C ATOM 1215 CG ASN A 83 -14.403 -6.501 -7.887 1.00 0.00 C ATOM 1216 OD1 ASN A 83 -14.447 -5.272 -8.388 1.00 0.00 O flip ATOM 1217 ND2 ASN A 83 -14.490 -7.509 -8.589 1.00 0.00 N flip ATOM 0 H ASN A 83 -15.396 -3.695 -5.963 1.00 0.00 H new ATOM 0 HA ASN A 83 -16.197 -5.757 -6.178 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -13.230 -6.300 -6.109 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -14.343 -7.654 -6.085 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -14.451 -8.434 -8.160 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -14.601 -7.419 -9.599 1.00 0.00 H new ATOM 1224 N GLY A 84 -15.903 -5.501 -3.308 1.00 0.00 N ATOM 1225 CA GLY A 84 -16.174 -5.955 -1.956 1.00 0.00 C ATOM 1226 C GLY A 84 -14.985 -5.772 -1.033 1.00 0.00 C ATOM 1227 O GLY A 84 -15.150 -5.607 0.177 1.00 0.00 O ATOM 0 H GLY A 84 -16.040 -4.502 -3.460 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -17.028 -5.407 -1.557 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -16.453 -7.008 -1.979 1.00 0.00 H new ATOM 1231 N LYS A 85 -13.784 -5.800 -1.601 1.00 0.00 N ATOM 1232 CA LYS A 85 -12.564 -5.636 -0.819 1.00 0.00 C ATOM 1233 C LYS A 85 -12.376 -4.181 -0.404 1.00 0.00 C ATOM 1234 O LYS A 85 -12.682 -3.263 -1.165 1.00 0.00 O ATOM 1235 CB LYS A 85 -11.351 -6.110 -1.621 1.00 0.00 C ATOM 1236 CG LYS A 85 -10.278 -6.770 -0.769 1.00 0.00 C ATOM 1237 CD LYS A 85 -9.135 -5.813 -0.472 1.00 0.00 C ATOM 1238 CE LYS A 85 -8.229 -6.352 0.623 1.00 0.00 C ATOM 1239 NZ LYS A 85 -7.132 -5.401 0.957 1.00 0.00 N ATOM 0 H LYS A 85 -13.629 -5.935 -2.600 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.655 -6.244 0.081 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.683 -6.815 -2.383 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.916 -5.258 -2.143 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -10.717 -7.116 0.167 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.893 -7.650 -1.285 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.553 -5.647 -1.379 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.537 -4.846 -0.170 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.820 -6.552 1.517 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.801 -7.302 0.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.568 -5.784 1.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.522 -5.268 0.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.539 -4.486 1.237 1.00 0.00 H new ATOM 1253 N ARG A 86 -11.868 -3.978 0.808 1.00 0.00 N ATOM 1254 CA ARG A 86 -11.636 -2.634 1.325 1.00 0.00 C ATOM 1255 C ARG A 86 -10.143 -2.362 1.478 1.00 0.00 C ATOM 1256 O ARG A 86 -9.346 -3.287 1.629 1.00 0.00 O ATOM 1257 CB ARG A 86 -12.339 -2.456 2.672 1.00 0.00 C ATOM 1258 CG ARG A 86 -12.630 -1.004 3.018 1.00 0.00 C ATOM 1259 CD ARG A 86 -13.338 -0.882 4.358 1.00 0.00 C ATOM 1260 NE ARG A 86 -12.516 -1.376 5.460 1.00 0.00 N ATOM 1261 CZ ARG A 86 -11.516 -0.686 6.005 1.00 0.00 C ATOM 1262 NH1 ARG A 86 -11.213 0.525 5.555 1.00 0.00 N ATOM 1263 NH2 ARG A 86 -10.819 -1.207 7.006 1.00 0.00 N ATOM 0 H ARG A 86 -11.609 -4.727 1.450 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.047 -1.920 0.611 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.276 -3.013 2.660 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.719 -2.891 3.456 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.697 -0.441 3.046 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.247 -0.559 2.237 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -13.596 0.162 4.538 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.274 -1.440 4.325 1.00 0.00 H new ATOM 0 HE ARG A 86 -12.720 -2.303 5.834 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -11.747 0.932 4.787 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.446 1.049 5.977 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -11.049 -2.136 7.358 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.053 -0.678 7.423 1.00 0.00 H new ATOM 1277 N TYR A 87 -9.772 -1.087 1.437 1.00 0.00 N ATOM 1278 CA TYR A 87 -8.373 -0.694 1.571 1.00 0.00 C ATOM 1279 C TYR A 87 -8.232 0.504 2.505 1.00 0.00 C ATOM 1280 O TYR A 87 -7.618 0.407 3.567 1.00 0.00 O ATOM 1281 CB TYR A 87 -7.783 -0.360 0.200 1.00 0.00 C ATOM 1282 CG TYR A 87 -7.906 -1.485 -0.802 1.00 0.00 C ATOM 1283 CD1 TYR A 87 -9.144 -1.855 -1.312 1.00 0.00 C ATOM 1284 CD2 TYR A 87 -6.783 -2.178 -1.238 1.00 0.00 C ATOM 1285 CE1 TYR A 87 -9.260 -2.884 -2.228 1.00 0.00 C ATOM 1286 CE2 TYR A 87 -6.891 -3.207 -2.153 1.00 0.00 C ATOM 1287 CZ TYR A 87 -8.131 -3.557 -2.645 1.00 0.00 C ATOM 1288 OH TYR A 87 -8.242 -4.582 -3.556 1.00 0.00 O ATOM 0 H TYR A 87 -10.419 -0.309 1.312 1.00 0.00 H new ATOM 0 HA TYR A 87 -7.824 -1.532 2.000 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -8.283 0.524 -0.196 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.730 -0.104 0.319 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -10.030 -1.330 -0.988 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.810 -1.908 -0.855 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -10.230 -3.159 -2.615 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -6.008 -3.735 -2.482 1.00 0.00 H new ATOM 0 HH TYR A 87 -8.620 -4.237 -4.392 1.00 0.00 H new ATOM 1298 N PHE A 88 -8.803 1.634 2.100 1.00 0.00 N ATOM 1299 CA PHE A 88 -8.741 2.852 2.900 1.00 0.00 C ATOM 1300 C PHE A 88 -10.140 3.345 3.252 1.00 0.00 C ATOM 1301 O PHE A 88 -11.138 2.719 2.892 1.00 0.00 O ATOM 1302 CB PHE A 88 -7.977 3.942 2.147 1.00 0.00 C ATOM 1303 CG PHE A 88 -8.592 4.301 0.824 1.00 0.00 C ATOM 1304 CD1 PHE A 88 -8.337 3.538 -0.304 1.00 0.00 C ATOM 1305 CD2 PHE A 88 -9.426 5.403 0.710 1.00 0.00 C ATOM 1306 CE1 PHE A 88 -8.902 3.866 -1.522 1.00 0.00 C ATOM 1307 CE2 PHE A 88 -9.993 5.736 -0.506 1.00 0.00 C ATOM 1308 CZ PHE A 88 -9.731 4.967 -1.623 1.00 0.00 C ATOM 0 H PHE A 88 -9.314 1.731 1.223 1.00 0.00 H new ATOM 0 HA PHE A 88 -8.214 2.622 3.826 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.927 4.835 2.770 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.952 3.609 1.984 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -7.689 2.677 -0.231 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -9.635 6.007 1.580 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -8.696 3.263 -2.394 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -10.640 6.597 -0.583 1.00 0.00 H new ATOM 0 HZ PHE A 88 -10.173 5.226 -2.574 1.00 0.00 H new ATOM 1318 N GLU A 89 -10.206 4.470 3.956 1.00 0.00 N ATOM 1319 CA GLU A 89 -11.484 5.048 4.356 1.00 0.00 C ATOM 1320 C GLU A 89 -11.552 6.526 3.985 1.00 0.00 C ATOM 1321 O GLU A 89 -11.361 7.398 4.832 1.00 0.00 O ATOM 1322 CB GLU A 89 -11.695 4.877 5.862 1.00 0.00 C ATOM 1323 CG GLU A 89 -12.166 3.486 6.255 1.00 0.00 C ATOM 1324 CD GLU A 89 -11.493 2.977 7.515 1.00 0.00 C ATOM 1325 OE1 GLU A 89 -10.272 3.195 7.665 1.00 0.00 O ATOM 1326 OE2 GLU A 89 -12.186 2.361 8.351 1.00 0.00 O ATOM 0 H GLU A 89 -9.390 5.000 4.261 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.276 4.522 3.823 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.760 5.095 6.379 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.426 5.609 6.204 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -13.246 3.501 6.405 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.967 2.794 5.436 1.00 0.00 H new ATOM 1333 N CYS A 90 -11.822 6.799 2.713 1.00 0.00 N ATOM 1334 CA CYS A 90 -11.915 8.172 2.228 1.00 0.00 C ATOM 1335 C CYS A 90 -13.117 8.344 1.307 1.00 0.00 C ATOM 1336 O CYS A 90 -13.769 7.369 0.933 1.00 0.00 O ATOM 1337 CB CYS A 90 -10.631 8.562 1.492 1.00 0.00 C ATOM 1338 SG CYS A 90 -10.186 10.307 1.657 1.00 0.00 S ATOM 0 H CYS A 90 -11.980 6.088 1.999 1.00 0.00 H new ATOM 0 HA CYS A 90 -12.045 8.828 3.089 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -9.810 7.952 1.868 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -10.745 8.326 0.434 1.00 0.00 H new ATOM 0 HG CYS A 90 -9.941 10.805 0.482 1.00 0.00 H new ATOM 1344 N GLN A 91 -13.405 9.590 0.942 1.00 0.00 N ATOM 1345 CA GLN A 91 -14.529 9.889 0.064 1.00 0.00 C ATOM 1346 C GLN A 91 -14.338 9.243 -1.305 1.00 0.00 C ATOM 1347 O GLN A 91 -13.264 8.730 -1.615 1.00 0.00 O ATOM 1348 CB GLN A 91 -14.693 11.402 -0.091 1.00 0.00 C ATOM 1349 CG GLN A 91 -15.621 12.020 0.940 1.00 0.00 C ATOM 1350 CD GLN A 91 -15.837 13.504 0.714 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -14.948 14.206 0.233 1.00 0.00 O ATOM 1352 NE2 GLN A 91 -17.024 13.990 1.063 1.00 0.00 N ATOM 0 H GLN A 91 -12.875 10.408 1.241 1.00 0.00 H new ATOM 0 HA GLN A 91 -15.431 9.477 0.517 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -13.714 11.875 -0.017 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -15.076 11.618 -1.088 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -16.583 11.508 0.911 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -15.207 11.864 1.936 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -17.732 13.371 1.458 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -17.227 14.981 0.935 1.00 0.00 H new ATOM 1361 N ALA A 92 -15.388 9.273 -2.119 1.00 0.00 N ATOM 1362 CA ALA A 92 -15.336 8.691 -3.455 1.00 0.00 C ATOM 1363 C ALA A 92 -14.728 9.667 -4.455 1.00 0.00 C ATOM 1364 O ALA A 92 -14.761 10.881 -4.252 1.00 0.00 O ATOM 1365 CB ALA A 92 -16.729 8.273 -3.903 1.00 0.00 C ATOM 0 H ALA A 92 -16.285 9.694 -1.877 1.00 0.00 H new ATOM 0 HA ALA A 92 -14.699 7.808 -3.415 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -16.675 7.840 -4.902 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -17.128 7.534 -3.208 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -17.383 9.145 -3.920 1.00 0.00 H new ATOM 1371 N LYS A 93 -14.171 9.129 -5.536 1.00 0.00 N ATOM 1372 CA LYS A 93 -13.554 9.954 -6.569 1.00 0.00 C ATOM 1373 C LYS A 93 -12.408 10.779 -5.993 1.00 0.00 C ATOM 1374 O LYS A 93 -12.141 11.891 -6.446 1.00 0.00 O ATOM 1375 CB LYS A 93 -14.595 10.878 -7.202 1.00 0.00 C ATOM 1376 CG LYS A 93 -15.527 10.170 -8.172 1.00 0.00 C ATOM 1377 CD LYS A 93 -16.643 9.440 -7.441 1.00 0.00 C ATOM 1378 CE LYS A 93 -17.644 10.412 -6.838 1.00 0.00 C ATOM 1379 NZ LYS A 93 -18.839 10.592 -7.707 1.00 0.00 N ATOM 0 H LYS A 93 -14.134 8.126 -5.719 1.00 0.00 H new ATOM 0 HA LYS A 93 -13.152 9.292 -7.336 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -15.188 11.339 -6.412 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -14.082 11.684 -7.727 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -15.957 10.897 -8.861 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -14.958 9.460 -8.772 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -17.155 8.771 -8.132 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -16.217 8.819 -6.653 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -17.959 10.048 -5.860 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -17.162 11.377 -6.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -19.496 11.262 -7.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -18.543 10.963 -8.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -19.314 9.676 -7.838 1.00 0.00 H new ATOM 1393 N TYR A 94 -11.734 10.226 -4.989 1.00 0.00 N ATOM 1394 CA TYR A 94 -10.618 10.911 -4.348 1.00 0.00 C ATOM 1395 C TYR A 94 -9.389 10.010 -4.288 1.00 0.00 C ATOM 1396 O TYR A 94 -8.311 10.380 -4.753 1.00 0.00 O ATOM 1397 CB TYR A 94 -11.008 11.358 -2.938 1.00 0.00 C ATOM 1398 CG TYR A 94 -11.550 12.768 -2.878 1.00 0.00 C ATOM 1399 CD1 TYR A 94 -10.693 13.862 -2.873 1.00 0.00 C ATOM 1400 CD2 TYR A 94 -12.917 13.005 -2.826 1.00 0.00 C ATOM 1401 CE1 TYR A 94 -11.185 15.152 -2.819 1.00 0.00 C ATOM 1402 CE2 TYR A 94 -13.416 14.294 -2.773 1.00 0.00 C ATOM 1403 CZ TYR A 94 -12.546 15.362 -2.769 1.00 0.00 C ATOM 1404 OH TYR A 94 -13.039 16.646 -2.716 1.00 0.00 O ATOM 0 H TYR A 94 -11.942 9.305 -4.602 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.373 11.790 -4.944 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -11.758 10.672 -2.543 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -10.136 11.285 -2.289 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -9.626 13.701 -2.912 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -13.602 12.170 -2.827 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -10.506 15.992 -2.816 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -14.482 14.462 -2.735 1.00 0.00 H new ATOM 0 HH TYR A 94 -14.018 16.619 -2.686 1.00 0.00 H new ATOM 1414 N GLY A 95 -9.560 8.824 -3.712 1.00 0.00 N ATOM 1415 CA GLY A 95 -8.456 7.888 -3.602 1.00 0.00 C ATOM 1416 C GLY A 95 -8.453 6.862 -4.718 1.00 0.00 C ATOM 1417 O GLY A 95 -9.193 5.880 -4.670 1.00 0.00 O ATOM 0 H GLY A 95 -10.442 8.495 -3.320 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.515 8.438 -3.615 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -8.512 7.376 -2.642 1.00 0.00 H new ATOM 1421 N ALA A 96 -7.617 7.090 -5.726 1.00 0.00 N ATOM 1422 CA ALA A 96 -7.519 6.178 -6.858 1.00 0.00 C ATOM 1423 C ALA A 96 -6.589 5.012 -6.545 1.00 0.00 C ATOM 1424 O ALA A 96 -6.030 4.927 -5.451 1.00 0.00 O ATOM 1425 CB ALA A 96 -7.039 6.922 -8.094 1.00 0.00 C ATOM 0 H ALA A 96 -6.998 7.899 -5.781 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.512 5.773 -7.054 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.970 6.229 -8.932 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.744 7.717 -8.337 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.058 7.355 -7.900 1.00 0.00 H new ATOM 1431 N PHE A 97 -6.425 4.115 -7.512 1.00 0.00 N ATOM 1432 CA PHE A 97 -5.561 2.952 -7.338 1.00 0.00 C ATOM 1433 C PHE A 97 -4.567 2.838 -8.488 1.00 0.00 C ATOM 1434 O PHE A 97 -4.919 2.408 -9.586 1.00 0.00 O ATOM 1435 CB PHE A 97 -6.400 1.676 -7.245 1.00 0.00 C ATOM 1436 CG PHE A 97 -7.004 1.452 -5.889 1.00 0.00 C ATOM 1437 CD1 PHE A 97 -6.208 1.424 -4.756 1.00 0.00 C ATOM 1438 CD2 PHE A 97 -8.371 1.270 -5.748 1.00 0.00 C ATOM 1439 CE1 PHE A 97 -6.762 1.218 -3.506 1.00 0.00 C ATOM 1440 CE2 PHE A 97 -8.931 1.063 -4.501 1.00 0.00 C ATOM 1441 CZ PHE A 97 -8.126 1.037 -3.379 1.00 0.00 C ATOM 0 H PHE A 97 -6.879 4.171 -8.424 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.004 3.080 -6.410 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.198 1.721 -7.986 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -5.775 0.821 -7.501 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.141 1.565 -4.850 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -9.005 1.290 -6.622 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.130 1.199 -2.631 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -9.997 0.922 -4.404 1.00 0.00 H new ATOM 0 HZ PHE A 97 -8.562 0.875 -2.404 1.00 0.00 H new ATOM 1451 N VAL A 98 -3.321 3.225 -8.228 1.00 0.00 N ATOM 1452 CA VAL A 98 -2.276 3.165 -9.242 1.00 0.00 C ATOM 1453 C VAL A 98 -1.180 2.182 -8.844 1.00 0.00 C ATOM 1454 O VAL A 98 -1.034 1.841 -7.670 1.00 0.00 O ATOM 1455 CB VAL A 98 -1.644 4.549 -9.483 1.00 0.00 C ATOM 1456 CG1 VAL A 98 -2.559 5.415 -10.338 1.00 0.00 C ATOM 1457 CG2 VAL A 98 -1.334 5.234 -8.160 1.00 0.00 C ATOM 0 H VAL A 98 -3.012 3.583 -7.324 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.750 2.825 -10.163 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.707 4.409 -10.022 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.095 6.388 -10.497 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.724 4.930 -11.300 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.514 5.547 -9.830 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.888 6.210 -8.351 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.255 5.361 -7.591 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.636 4.622 -7.588 1.00 0.00 H new ATOM 1467 N LYS A 99 -0.414 1.728 -9.831 1.00 0.00 N ATOM 1468 CA LYS A 99 0.668 0.781 -9.584 1.00 0.00 C ATOM 1469 C LYS A 99 1.950 1.506 -9.178 1.00 0.00 C ATOM 1470 O LYS A 99 2.182 2.645 -9.580 1.00 0.00 O ATOM 1471 CB LYS A 99 0.922 -0.068 -10.830 1.00 0.00 C ATOM 1472 CG LYS A 99 -0.312 -0.800 -11.331 1.00 0.00 C ATOM 1473 CD LYS A 99 -0.708 -1.930 -10.395 1.00 0.00 C ATOM 1474 CE LYS A 99 0.073 -3.200 -10.693 1.00 0.00 C ATOM 1475 NZ LYS A 99 -0.699 -4.423 -10.335 1.00 0.00 N ATOM 0 H LYS A 99 -0.522 2.000 -10.808 1.00 0.00 H new ATOM 0 HA LYS A 99 0.367 0.131 -8.763 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.301 0.574 -11.625 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.702 -0.797 -10.610 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -1.140 -0.097 -11.425 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -0.119 -1.201 -12.326 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.532 -1.627 -9.363 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -1.776 -2.127 -10.492 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.329 -3.229 -11.752 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.011 -3.188 -10.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -0.183 -4.959 -9.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.632 -4.149 -9.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -0.822 -5.016 -11.181 1.00 0.00 H new ATOM 1489 N PRO A 100 2.802 0.847 -8.368 1.00 0.00 N ATOM 1490 CA PRO A 100 4.063 1.432 -7.912 1.00 0.00 C ATOM 1491 C PRO A 100 4.821 2.076 -9.061 1.00 0.00 C ATOM 1492 O PRO A 100 5.205 3.243 -8.994 1.00 0.00 O ATOM 1493 CB PRO A 100 4.829 0.228 -7.365 1.00 0.00 C ATOM 1494 CG PRO A 100 3.768 -0.714 -6.909 1.00 0.00 C ATOM 1495 CD PRO A 100 2.601 -0.517 -7.842 1.00 0.00 C ATOM 0 HA PRO A 100 3.920 2.224 -7.176 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.458 -0.224 -8.132 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.485 0.515 -6.543 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.122 -1.744 -6.941 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.481 -0.508 -5.878 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.597 -1.258 -8.641 1.00 0.00 H new ATOM 0 HD3 PRO A 100 1.649 -0.608 -7.318 1.00 0.00 H new ATOM 1503 N SER A 101 5.008 1.308 -10.131 1.00 0.00 N ATOM 1504 CA SER A 101 5.690 1.807 -11.313 1.00 0.00 C ATOM 1505 C SER A 101 4.982 3.054 -11.828 1.00 0.00 C ATOM 1506 O SER A 101 5.582 3.891 -12.503 1.00 0.00 O ATOM 1507 CB SER A 101 5.729 0.735 -12.404 1.00 0.00 C ATOM 1508 OG SER A 101 5.983 1.305 -13.676 1.00 0.00 O ATOM 0 H SER A 101 4.696 0.339 -10.200 1.00 0.00 H new ATOM 0 HA SER A 101 6.715 2.062 -11.045 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.502 0.003 -12.170 1.00 0.00 H new ATOM 0 HB3 SER A 101 4.779 0.200 -12.426 1.00 0.00 H new ATOM 0 HG SER A 101 6.004 0.597 -14.353 1.00 0.00 H new ATOM 1514 N ALA A 102 3.699 3.178 -11.486 1.00 0.00 N ATOM 1515 CA ALA A 102 2.910 4.330 -11.893 1.00 0.00 C ATOM 1516 C ALA A 102 2.923 5.406 -10.809 1.00 0.00 C ATOM 1517 O ALA A 102 2.505 6.539 -11.042 1.00 0.00 O ATOM 1518 CB ALA A 102 1.482 3.910 -12.207 1.00 0.00 C ATOM 0 H ALA A 102 3.189 2.493 -10.929 1.00 0.00 H new ATOM 0 HA ALA A 102 3.356 4.749 -12.795 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.904 4.783 -12.510 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.487 3.180 -13.016 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.030 3.466 -11.320 1.00 0.00 H new ATOM 1524 N VAL A 103 3.411 5.042 -9.621 1.00 0.00 N ATOM 1525 CA VAL A 103 3.478 5.980 -8.506 1.00 0.00 C ATOM 1526 C VAL A 103 4.919 6.396 -8.227 1.00 0.00 C ATOM 1527 O VAL A 103 5.775 5.558 -7.948 1.00 0.00 O ATOM 1528 CB VAL A 103 2.875 5.376 -7.224 1.00 0.00 C ATOM 1529 CG1 VAL A 103 2.723 6.442 -6.150 1.00 0.00 C ATOM 1530 CG2 VAL A 103 1.538 4.712 -7.520 1.00 0.00 C ATOM 0 H VAL A 103 3.763 4.108 -9.410 1.00 0.00 H new ATOM 0 HA VAL A 103 2.896 6.855 -8.794 1.00 0.00 H new ATOM 0 HB VAL A 103 3.557 4.612 -6.851 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.295 5.996 -5.252 1.00 0.00 H new ATOM 0 HG12 VAL A 103 3.700 6.864 -5.915 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.064 7.232 -6.512 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.129 4.292 -6.601 1.00 0.00 H new ATOM 0 HG22 VAL A 103 0.845 5.452 -7.920 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.681 3.916 -8.251 1.00 0.00 H new ATOM 1540 N THR A 104 5.179 7.697 -8.308 1.00 0.00 N ATOM 1541 CA THR A 104 6.517 8.225 -8.065 1.00 0.00 C ATOM 1542 C THR A 104 6.642 8.758 -6.641 1.00 0.00 C ATOM 1543 O THR A 104 5.999 9.742 -6.278 1.00 0.00 O ATOM 1544 CB THR A 104 6.840 9.334 -9.067 1.00 0.00 C ATOM 1545 OG1 THR A 104 6.703 8.863 -10.396 1.00 0.00 O ATOM 1546 CG2 THR A 104 8.240 9.887 -8.917 1.00 0.00 C ATOM 0 H THR A 104 4.482 8.404 -8.540 1.00 0.00 H new ATOM 0 HA THR A 104 7.230 7.411 -8.192 1.00 0.00 H new ATOM 0 HB THR A 104 6.128 10.132 -8.855 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.912 9.587 -11.023 1.00 0.00 H new ATOM 0 HG21 THR A 104 8.403 10.670 -9.658 1.00 0.00 H new ATOM 0 HG22 THR A 104 8.362 10.303 -7.917 1.00 0.00 H new ATOM 0 HG23 THR A 104 8.965 9.087 -9.068 1.00 0.00 H new ATOM 1554 N VAL A 105 7.475 8.101 -5.840 1.00 0.00 N ATOM 1555 CA VAL A 105 7.686 8.511 -4.457 1.00 0.00 C ATOM 1556 C VAL A 105 8.583 9.741 -4.381 1.00 0.00 C ATOM 1557 O VAL A 105 9.718 9.724 -4.857 1.00 0.00 O ATOM 1558 CB VAL A 105 8.314 7.378 -3.625 1.00 0.00 C ATOM 1559 CG1 VAL A 105 8.353 7.754 -2.151 1.00 0.00 C ATOM 1560 CG2 VAL A 105 7.550 6.078 -3.831 1.00 0.00 C ATOM 0 H VAL A 105 8.014 7.283 -6.125 1.00 0.00 H new ATOM 0 HA VAL A 105 6.706 8.753 -4.045 1.00 0.00 H new ATOM 0 HB VAL A 105 9.339 7.229 -3.964 1.00 0.00 H new ATOM 0 HG11 VAL A 105 8.800 6.941 -1.580 1.00 0.00 H new ATOM 0 HG12 VAL A 105 8.948 8.658 -2.022 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.339 7.933 -1.794 1.00 0.00 H new ATOM 0 HG21 VAL A 105 8.008 5.288 -3.235 1.00 0.00 H new ATOM 0 HG22 VAL A 105 6.514 6.212 -3.521 1.00 0.00 H new ATOM 0 HG23 VAL A 105 7.580 5.801 -4.885 1.00 0.00 H new ATOM 1570 N GLY A 106 8.067 10.807 -3.779 1.00 0.00 N ATOM 1571 CA GLY A 106 8.835 12.031 -3.653 1.00 0.00 C ATOM 1572 C GLY A 106 9.572 12.124 -2.331 1.00 0.00 C ATOM 1573 O GLY A 106 10.615 12.769 -2.239 1.00 0.00 O ATOM 0 H GLY A 106 7.131 10.845 -3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.554 12.090 -4.470 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.167 12.887 -3.753 1.00 0.00 H new ATOM 1577 N ASP A 107 9.026 11.477 -1.306 1.00 0.00 N ATOM 1578 CA ASP A 107 9.641 11.491 0.017 1.00 0.00 C ATOM 1579 C ASP A 107 9.341 10.201 0.772 1.00 0.00 C ATOM 1580 O ASP A 107 8.293 10.069 1.405 1.00 0.00 O ATOM 1581 CB ASP A 107 9.141 12.694 0.821 1.00 0.00 C ATOM 1582 CG ASP A 107 10.231 13.310 1.676 1.00 0.00 C ATOM 1583 OD1 ASP A 107 11.405 13.284 1.250 1.00 0.00 O ATOM 1584 OD2 ASP A 107 9.910 13.819 2.770 1.00 0.00 O ATOM 0 H ASP A 107 8.162 10.938 -1.365 1.00 0.00 H new ATOM 0 HA ASP A 107 10.720 11.571 -0.113 1.00 0.00 H new ATOM 0 HB2 ASP A 107 8.750 13.447 0.137 1.00 0.00 H new ATOM 0 HB3 ASP A 107 8.314 12.383 1.459 1.00 0.00 H new ATOM 1589 N SER A 108 10.269 9.252 0.704 1.00 0.00 N ATOM 1590 CA SER A 108 10.105 7.973 1.383 1.00 0.00 C ATOM 1591 C SER A 108 10.013 8.169 2.894 1.00 0.00 C ATOM 1592 O SER A 108 9.777 9.281 3.370 1.00 0.00 O ATOM 1593 CB SER A 108 11.272 7.042 1.044 1.00 0.00 C ATOM 1594 OG SER A 108 11.564 7.073 -0.343 1.00 0.00 O ATOM 0 H SER A 108 11.142 9.345 0.185 1.00 0.00 H new ATOM 0 HA SER A 108 9.176 7.519 1.038 1.00 0.00 H new ATOM 0 HB2 SER A 108 12.154 7.339 1.611 1.00 0.00 H new ATOM 0 HB3 SER A 108 11.028 6.023 1.345 1.00 0.00 H new ATOM 0 HG SER A 108 12.314 6.471 -0.533 1.00 0.00 H new ATOM 1600 N GLY A 109 10.201 7.088 3.645 1.00 0.00 N ATOM 1601 CA GLY A 109 10.135 7.170 5.092 1.00 0.00 C ATOM 1602 C GLY A 109 11.335 6.530 5.768 1.00 0.00 C ATOM 1603 O GLY A 109 11.182 5.577 6.531 1.00 0.00 O ATOM 0 H GLY A 109 10.398 6.157 3.277 1.00 0.00 H new ATOM 0 HA2 GLY A 109 10.070 8.216 5.390 1.00 0.00 H new ATOM 0 HA3 GLY A 109 9.224 6.682 5.439 1.00 0.00 H new ATOM 1607 N PRO A 110 12.552 7.038 5.508 1.00 0.00 N ATOM 1608 CA PRO A 110 13.777 6.499 6.107 1.00 0.00 C ATOM 1609 C PRO A 110 13.683 6.405 7.627 1.00 0.00 C ATOM 1610 O PRO A 110 13.849 5.331 8.203 1.00 0.00 O ATOM 1611 CB PRO A 110 14.851 7.511 5.701 1.00 0.00 C ATOM 1612 CG PRO A 110 14.325 8.146 4.460 1.00 0.00 C ATOM 1613 CD PRO A 110 12.829 8.177 4.611 1.00 0.00 C ATOM 0 HA PRO A 110 13.982 5.483 5.768 1.00 0.00 H new ATOM 0 HB2 PRO A 110 15.015 8.250 6.485 1.00 0.00 H new ATOM 0 HB3 PRO A 110 15.808 7.021 5.520 1.00 0.00 H new ATOM 0 HG2 PRO A 110 14.725 9.152 4.337 1.00 0.00 H new ATOM 0 HG3 PRO A 110 14.616 7.577 3.577 1.00 0.00 H new ATOM 0 HD2 PRO A 110 12.488 9.119 5.041 1.00 0.00 H new ATOM 0 HD3 PRO A 110 12.326 8.064 3.651 1.00 0.00 H new ATOM 1621 N SER A 111 13.417 7.539 8.267 1.00 0.00 N ATOM 1622 CA SER A 111 13.302 7.588 9.721 1.00 0.00 C ATOM 1623 C SER A 111 14.619 7.200 10.385 1.00 0.00 C ATOM 1624 O SER A 111 15.377 6.387 9.854 1.00 0.00 O ATOM 1625 CB SER A 111 12.183 6.660 10.197 1.00 0.00 C ATOM 1626 OG SER A 111 12.060 6.692 11.609 1.00 0.00 O ATOM 0 H SER A 111 13.277 8.436 7.802 1.00 0.00 H new ATOM 0 HA SER A 111 13.061 8.612 10.007 1.00 0.00 H new ATOM 0 HB2 SER A 111 11.240 6.958 9.740 1.00 0.00 H new ATOM 0 HB3 SER A 111 12.388 5.641 9.870 1.00 0.00 H new ATOM 0 HG SER A 111 11.337 6.092 11.888 1.00 0.00 H new ATOM 1632 N SER A 112 14.885 7.785 11.548 1.00 0.00 N ATOM 1633 CA SER A 112 16.110 7.499 12.284 1.00 0.00 C ATOM 1634 C SER A 112 16.087 6.084 12.851 1.00 0.00 C ATOM 1635 O SER A 112 15.371 5.800 13.811 1.00 0.00 O ATOM 1636 CB SER A 112 16.297 8.512 13.417 1.00 0.00 C ATOM 1637 OG SER A 112 16.515 9.815 12.905 1.00 0.00 O ATOM 0 H SER A 112 14.269 8.460 12.001 1.00 0.00 H new ATOM 0 HA SER A 112 16.948 7.579 11.591 1.00 0.00 H new ATOM 0 HB2 SER A 112 15.415 8.512 14.058 1.00 0.00 H new ATOM 0 HB3 SER A 112 17.142 8.216 14.038 1.00 0.00 H new ATOM 0 HG SER A 112 16.630 10.444 13.648 1.00 0.00 H new ATOM 1643 N GLY A 113 16.875 5.198 12.250 1.00 0.00 N ATOM 1644 CA GLY A 113 16.930 3.822 12.708 1.00 0.00 C ATOM 1645 C GLY A 113 17.790 2.948 11.818 1.00 0.00 C ATOM 1646 O GLY A 113 18.608 3.502 11.054 1.00 0.00 O ATOM 1647 OXT GLY A 113 17.645 1.709 11.885 1.00 0.00 O ATOM 0 H GLY A 113 17.477 5.409 11.454 1.00 0.00 H new ATOM 0 HA2 GLY A 113 17.322 3.796 13.725 1.00 0.00 H new ATOM 0 HA3 GLY A 113 15.920 3.414 12.745 1.00 0.00 H new TER 1651 GLY A 113