USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=27 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 29 GLN : amide:sc= -1.28 K(o=-1.3,f=-8.6!) USER MOD Set 1.2: A 101 SER OG : rot 79:sc= -0.0567 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= -0.042 USER MOD Single : A 5 SER OG : rot 10:sc= 0.142 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.326 K(o=-0.33,f=-2.7!) USER MOD Single : A 14 GLN : amide:sc= -1.43 K(o=-1.4,f=-5!) USER MOD Single : A 15 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.26) USER MOD Single : A 21 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.01) USER MOD Single : A 24 SER OG : rot 38:sc= 0.134 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 86:sc= 0.0161 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 68:sc= -1.69 USER MOD Single : A 46 HIS : no HD1:sc= -0.0692 X(o=-0.069,f=-0.01) USER MOD Single : A 47 SER OG : rot 42:sc= 0.765 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.328 USER MOD Single : A 54 MET CE :methyl -118:sc= -4.83! (180deg=-8.02!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -148:sc= 0.0271 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 150:sc= -1.02 USER MOD Single : A 71 TYR OH : rot -30:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc=-0.00871 X(o=-0.0087,f=-0.41) USER MOD Single : A 81 SER OG : rot 180:sc= -0.0388 USER MOD Single : A 83 ASN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 33:sc= 0.719! USER MOD Single : A 90 CYS SG : rot 34:sc= -0.0114 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -145:sc= 0.183 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= -0.405 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 -17.264 -11.009 -11.493 1.00 0.00 N ATOM 2 CA GLY A 1 -16.151 -11.773 -10.865 1.00 0.00 C ATOM 3 C GLY A 1 -14.960 -11.928 -11.789 1.00 0.00 C ATOM 4 O GLY A 1 -14.295 -10.949 -12.125 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.054 -10.931 -10.821 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.931 -10.057 -11.748 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.586 -11.504 -12.349 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.836 -11.266 -9.953 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.511 -12.759 -10.573 1.00 0.00 H new ATOM 10 N SER A 2 -14.690 -13.163 -12.200 1.00 0.00 N ATOM 11 CA SER A 2 -13.569 -13.444 -13.092 1.00 0.00 C ATOM 12 C SER A 2 -13.623 -14.881 -13.597 1.00 0.00 C ATOM 13 O SER A 2 -13.389 -15.143 -14.777 1.00 0.00 O ATOM 14 CB SER A 2 -12.243 -13.192 -12.372 1.00 0.00 C ATOM 15 OG SER A 2 -11.168 -13.124 -13.292 1.00 0.00 O ATOM 0 H SER A 2 -15.231 -13.985 -11.930 1.00 0.00 H new ATOM 0 HA SER A 2 -13.642 -12.775 -13.949 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.303 -12.261 -11.808 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.059 -13.989 -11.652 1.00 0.00 H new ATOM 0 HG SER A 2 -10.332 -12.961 -12.807 1.00 0.00 H new ATOM 21 N SER A 3 -13.932 -15.809 -12.695 1.00 0.00 N ATOM 22 CA SER A 3 -14.017 -17.224 -13.045 1.00 0.00 C ATOM 23 C SER A 3 -12.640 -17.789 -13.378 1.00 0.00 C ATOM 24 O SER A 3 -12.105 -18.618 -12.643 1.00 0.00 O ATOM 25 CB SER A 3 -14.967 -17.429 -14.228 1.00 0.00 C ATOM 26 OG SER A 3 -16.057 -16.524 -14.170 1.00 0.00 O ATOM 0 H SER A 3 -14.128 -15.606 -11.715 1.00 0.00 H new ATOM 0 HA SER A 3 -14.409 -17.759 -12.180 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.424 -17.290 -15.163 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.340 -18.453 -14.226 1.00 0.00 H new ATOM 0 HG SER A 3 -16.648 -16.674 -14.937 1.00 0.00 H new ATOM 32 N GLY A 4 -12.070 -17.332 -14.488 1.00 0.00 N ATOM 33 CA GLY A 4 -10.759 -17.803 -14.896 1.00 0.00 C ATOM 34 C GLY A 4 -10.706 -18.176 -16.365 1.00 0.00 C ATOM 35 O GLY A 4 -11.617 -17.853 -17.128 1.00 0.00 O ATOM 0 H GLY A 4 -12.492 -16.644 -15.112 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.019 -17.028 -14.695 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.485 -18.670 -14.294 1.00 0.00 H new ATOM 39 N SER A 5 -9.636 -18.857 -16.761 1.00 0.00 N ATOM 40 CA SER A 5 -9.466 -19.275 -18.148 1.00 0.00 C ATOM 41 C SER A 5 -8.740 -20.614 -18.224 1.00 0.00 C ATOM 42 O SER A 5 -9.312 -21.620 -18.642 1.00 0.00 O ATOM 43 CB SER A 5 -8.691 -18.215 -18.931 1.00 0.00 C ATOM 44 OG SER A 5 -9.524 -17.120 -19.268 1.00 0.00 O ATOM 0 H SER A 5 -8.874 -19.131 -16.141 1.00 0.00 H new ATOM 0 HA SER A 5 -10.455 -19.391 -18.592 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.847 -17.865 -18.337 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.281 -18.657 -19.839 1.00 0.00 H new ATOM 0 HG SER A 5 -10.380 -17.203 -18.798 1.00 0.00 H new ATOM 50 N SER A 6 -7.474 -20.619 -17.816 1.00 0.00 N ATOM 51 CA SER A 6 -6.669 -21.834 -17.837 1.00 0.00 C ATOM 52 C SER A 6 -6.999 -22.724 -16.642 1.00 0.00 C ATOM 53 O SER A 6 -7.919 -22.436 -15.878 1.00 0.00 O ATOM 54 CB SER A 6 -5.180 -21.485 -17.832 1.00 0.00 C ATOM 55 OG SER A 6 -4.877 -20.528 -18.832 1.00 0.00 O ATOM 0 H SER A 6 -6.985 -19.795 -17.467 1.00 0.00 H new ATOM 0 HA SER A 6 -6.903 -22.380 -18.751 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.898 -21.095 -16.854 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.591 -22.387 -17.997 1.00 0.00 H new ATOM 0 HG SER A 6 -3.920 -20.321 -18.807 1.00 0.00 H new ATOM 61 N GLY A 7 -6.242 -23.805 -16.489 1.00 0.00 N ATOM 62 CA GLY A 7 -6.471 -24.719 -15.385 1.00 0.00 C ATOM 63 C GLY A 7 -5.601 -24.407 -14.183 1.00 0.00 C ATOM 64 O GLY A 7 -6.108 -24.199 -13.080 1.00 0.00 O ATOM 0 H GLY A 7 -5.475 -24.065 -17.109 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.520 -24.674 -15.092 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.276 -25.739 -15.716 1.00 0.00 H new ATOM 68 N ASN A 8 -4.290 -24.375 -14.395 1.00 0.00 N ATOM 69 CA ASN A 8 -3.348 -24.086 -13.320 1.00 0.00 C ATOM 70 C ASN A 8 -3.459 -25.125 -12.207 1.00 0.00 C ATOM 71 O ASN A 8 -3.214 -24.826 -11.038 1.00 0.00 O ATOM 72 CB ASN A 8 -3.598 -22.685 -12.757 1.00 0.00 C ATOM 73 CG ASN A 8 -2.612 -21.666 -13.290 1.00 0.00 C ATOM 74 OD1 ASN A 8 -1.558 -22.020 -13.818 1.00 0.00 O ATOM 75 ND2 ASN A 8 -2.949 -20.388 -13.154 1.00 0.00 N ATOM 0 H ASN A 8 -3.855 -24.546 -15.302 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.339 -24.128 -13.731 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.612 -22.371 -13.007 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.533 -22.716 -11.669 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.324 -19.657 -13.494 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.833 -20.138 -12.710 1.00 0.00 H new ATOM 82 N GLU A 9 -3.829 -26.346 -12.578 1.00 0.00 N ATOM 83 CA GLU A 9 -3.972 -27.428 -11.611 1.00 0.00 C ATOM 84 C GLU A 9 -2.618 -28.056 -11.297 1.00 0.00 C ATOM 85 O GLU A 9 -2.372 -28.499 -10.174 1.00 0.00 O ATOM 86 CB GLU A 9 -4.929 -28.495 -12.146 1.00 0.00 C ATOM 87 CG GLU A 9 -6.396 -28.129 -11.990 1.00 0.00 C ATOM 88 CD GLU A 9 -7.225 -28.512 -13.200 1.00 0.00 C ATOM 89 OE1 GLU A 9 -6.767 -28.265 -14.335 1.00 0.00 O ATOM 90 OE2 GLU A 9 -8.331 -29.060 -13.012 1.00 0.00 O ATOM 0 H GLU A 9 -4.035 -26.611 -13.541 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.382 -27.010 -10.692 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.716 -28.666 -13.201 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.740 -29.434 -11.626 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.798 -28.625 -11.107 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.483 -27.056 -11.820 1.00 0.00 H new ATOM 97 N GLU A 10 -1.741 -28.090 -12.296 1.00 0.00 N ATOM 98 CA GLU A 10 -0.411 -28.662 -12.127 1.00 0.00 C ATOM 99 C GLU A 10 0.606 -27.583 -11.766 1.00 0.00 C ATOM 100 O GLU A 10 1.617 -27.860 -11.122 1.00 0.00 O ATOM 101 CB GLU A 10 0.024 -29.381 -13.406 1.00 0.00 C ATOM 102 CG GLU A 10 -1.006 -30.370 -13.928 1.00 0.00 C ATOM 103 CD GLU A 10 -0.477 -31.790 -13.987 1.00 0.00 C ATOM 104 OE1 GLU A 10 0.753 -31.959 -14.124 1.00 0.00 O ATOM 105 OE2 GLU A 10 -1.292 -32.731 -13.894 1.00 0.00 O ATOM 0 H GLU A 10 -1.928 -27.728 -13.231 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.455 -29.382 -11.310 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.228 -28.639 -14.178 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.959 -29.909 -13.216 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.888 -30.342 -13.288 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.325 -30.064 -14.924 1.00 0.00 H new ATOM 112 N LEU A 11 0.331 -26.352 -12.188 1.00 0.00 N ATOM 113 CA LEU A 11 1.223 -25.233 -11.909 1.00 0.00 C ATOM 114 C LEU A 11 0.743 -24.441 -10.697 1.00 0.00 C ATOM 115 O LEU A 11 0.947 -23.230 -10.614 1.00 0.00 O ATOM 116 CB LEU A 11 1.318 -24.314 -13.131 1.00 0.00 C ATOM 117 CG LEU A 11 2.724 -23.808 -13.453 1.00 0.00 C ATOM 118 CD1 LEU A 11 3.466 -24.811 -14.324 1.00 0.00 C ATOM 119 CD2 LEU A 11 2.657 -22.452 -14.138 1.00 0.00 C ATOM 0 H LEU A 11 -0.501 -26.105 -12.724 1.00 0.00 H new ATOM 0 HA LEU A 11 2.211 -25.635 -11.687 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.933 -24.849 -13.999 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.667 -23.455 -12.972 1.00 0.00 H new ATOM 0 HG LEU A 11 3.272 -23.695 -12.518 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.465 -24.434 -14.543 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.545 -25.762 -13.797 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.921 -24.957 -15.256 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.667 -22.106 -14.360 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.091 -22.540 -15.066 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.165 -21.736 -13.480 1.00 0.00 H new ATOM 131 N ARG A 12 0.104 -25.132 -9.757 1.00 0.00 N ATOM 132 CA ARG A 12 -0.404 -24.491 -8.550 1.00 0.00 C ATOM 133 C ARG A 12 0.710 -24.303 -7.525 1.00 0.00 C ATOM 134 O ARG A 12 0.738 -23.311 -6.798 1.00 0.00 O ATOM 135 CB ARG A 12 -1.536 -25.323 -7.943 1.00 0.00 C ATOM 136 CG ARG A 12 -2.141 -24.706 -6.693 1.00 0.00 C ATOM 137 CD ARG A 12 -3.068 -23.550 -7.035 1.00 0.00 C ATOM 138 NE ARG A 12 -4.190 -23.455 -6.104 1.00 0.00 N ATOM 139 CZ ARG A 12 -4.972 -22.383 -5.992 1.00 0.00 C ATOM 140 NH1 ARG A 12 -4.756 -21.315 -6.751 1.00 0.00 N ATOM 141 NH2 ARG A 12 -5.970 -22.378 -5.120 1.00 0.00 N ATOM 0 H ARG A 12 -0.074 -26.135 -9.809 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.791 -23.510 -8.825 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.320 -25.454 -8.689 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.157 -26.316 -7.701 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.694 -25.466 -6.142 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.344 -24.353 -6.038 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.505 -22.617 -7.020 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.448 -23.677 -8.049 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.386 -24.257 -5.505 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.989 -21.314 -7.423 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.357 -20.496 -6.662 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.139 -23.196 -4.534 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.569 -21.557 -5.035 1.00 0.00 H new ATOM 155 N ALA A 13 1.627 -25.263 -7.475 1.00 0.00 N ATOM 156 CA ALA A 13 2.745 -25.204 -6.541 1.00 0.00 C ATOM 157 C ALA A 13 3.961 -24.548 -7.184 1.00 0.00 C ATOM 158 O ALA A 13 4.760 -23.900 -6.507 1.00 0.00 O ATOM 159 CB ALA A 13 3.095 -26.600 -6.048 1.00 0.00 C ATOM 0 H ALA A 13 1.618 -26.091 -8.070 1.00 0.00 H new ATOM 0 HA ALA A 13 2.444 -24.595 -5.689 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.931 -26.541 -5.351 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.232 -27.034 -5.543 1.00 0.00 H new ATOM 0 HB3 ALA A 13 3.373 -27.226 -6.896 1.00 0.00 H new ATOM 165 N GLN A 14 4.095 -24.718 -8.495 1.00 0.00 N ATOM 166 CA GLN A 14 5.214 -24.141 -9.231 1.00 0.00 C ATOM 167 C GLN A 14 5.151 -22.616 -9.211 1.00 0.00 C ATOM 168 O GLN A 14 6.172 -21.942 -9.355 1.00 0.00 O ATOM 169 CB GLN A 14 5.217 -24.648 -10.675 1.00 0.00 C ATOM 170 CG GLN A 14 6.527 -25.303 -11.085 1.00 0.00 C ATOM 171 CD GLN A 14 7.017 -24.831 -12.439 1.00 0.00 C ATOM 172 OE1 GLN A 14 6.235 -24.370 -13.270 1.00 0.00 O ATOM 173 NE2 GLN A 14 8.321 -24.944 -12.669 1.00 0.00 N ATOM 0 H GLN A 14 3.442 -25.251 -9.070 1.00 0.00 H new ATOM 0 HA GLN A 14 6.138 -24.453 -8.743 1.00 0.00 H new ATOM 0 HB2 GLN A 14 4.406 -25.365 -10.802 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.012 -23.813 -11.345 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.287 -25.089 -10.333 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.396 -26.385 -11.107 1.00 0.00 H new ATOM 0 HE21 GLN A 14 8.934 -25.332 -11.952 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.709 -24.643 -13.563 1.00 0.00 H new ATOM 182 N GLN A 15 3.949 -22.075 -9.032 1.00 0.00 N ATOM 183 CA GLN A 15 3.759 -20.631 -8.994 1.00 0.00 C ATOM 184 C GLN A 15 3.725 -20.123 -7.556 1.00 0.00 C ATOM 185 O GLN A 15 2.966 -19.211 -7.226 1.00 0.00 O ATOM 186 CB GLN A 15 2.465 -20.246 -9.713 1.00 0.00 C ATOM 187 CG GLN A 15 2.514 -20.472 -11.216 1.00 0.00 C ATOM 188 CD GLN A 15 1.531 -19.598 -11.969 1.00 0.00 C ATOM 189 OE1 GLN A 15 0.342 -19.567 -11.655 1.00 0.00 O ATOM 190 NE2 GLN A 15 2.025 -18.880 -12.972 1.00 0.00 N ATOM 0 H GLN A 15 3.093 -22.616 -8.911 1.00 0.00 H new ATOM 0 HA GLN A 15 4.603 -20.166 -9.504 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.641 -20.823 -9.294 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.250 -19.195 -9.519 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.523 -20.272 -11.577 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.301 -21.519 -11.429 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.018 -18.936 -13.199 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.411 -18.273 -13.515 1.00 0.00 H new ATOM 199 N GLU A 16 4.555 -20.717 -6.704 1.00 0.00 N ATOM 200 CA GLU A 16 4.622 -20.324 -5.302 1.00 0.00 C ATOM 201 C GLU A 16 5.936 -19.610 -5.003 1.00 0.00 C ATOM 202 O GLU A 16 5.954 -18.577 -4.334 1.00 0.00 O ATOM 203 CB GLU A 16 4.478 -21.551 -4.400 1.00 0.00 C ATOM 204 CG GLU A 16 3.033 -21.951 -4.144 1.00 0.00 C ATOM 205 CD GLU A 16 2.714 -22.080 -2.668 1.00 0.00 C ATOM 206 OE1 GLU A 16 3.376 -22.890 -1.985 1.00 0.00 O ATOM 207 OE2 GLU A 16 1.803 -21.369 -2.194 1.00 0.00 O ATOM 0 H GLU A 16 5.190 -21.472 -6.961 1.00 0.00 H new ATOM 0 HA GLU A 16 3.800 -19.637 -5.101 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.004 -22.390 -4.855 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.965 -21.350 -3.446 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.371 -21.210 -4.591 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.830 -22.900 -4.640 1.00 0.00 H new ATOM 214 N ALA A 17 7.034 -20.168 -5.503 1.00 0.00 N ATOM 215 CA ALA A 17 8.353 -19.585 -5.292 1.00 0.00 C ATOM 216 C ALA A 17 8.963 -19.125 -6.613 1.00 0.00 C ATOM 217 O ALA A 17 9.602 -18.076 -6.681 1.00 0.00 O ATOM 218 CB ALA A 17 9.268 -20.587 -4.606 1.00 0.00 C ATOM 0 H ALA A 17 7.036 -21.024 -6.058 1.00 0.00 H new ATOM 0 HA ALA A 17 8.242 -18.713 -4.648 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.250 -20.139 -4.454 1.00 0.00 H new ATOM 0 HB2 ALA A 17 8.844 -20.866 -3.642 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.367 -21.475 -5.230 1.00 0.00 H new ATOM 224 N GLU A 18 8.758 -19.919 -7.659 1.00 0.00 N ATOM 225 CA GLU A 18 9.286 -19.595 -8.979 1.00 0.00 C ATOM 226 C GLU A 18 8.547 -18.408 -9.591 1.00 0.00 C ATOM 227 O GLU A 18 9.063 -17.739 -10.487 1.00 0.00 O ATOM 228 CB GLU A 18 9.180 -20.809 -9.905 1.00 0.00 C ATOM 229 CG GLU A 18 10.418 -21.692 -9.896 1.00 0.00 C ATOM 230 CD GLU A 18 10.907 -22.026 -11.291 1.00 0.00 C ATOM 231 OE1 GLU A 18 10.937 -21.114 -12.144 1.00 0.00 O ATOM 232 OE2 GLU A 18 11.259 -23.200 -11.533 1.00 0.00 O ATOM 0 H GLU A 18 8.230 -20.791 -7.618 1.00 0.00 H new ATOM 0 HA GLU A 18 10.335 -19.323 -8.864 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.316 -21.406 -9.611 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.997 -20.464 -10.923 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.214 -21.189 -9.347 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.197 -22.616 -9.362 1.00 0.00 H new ATOM 239 N ALA A 19 7.334 -18.151 -9.106 1.00 0.00 N ATOM 240 CA ALA A 19 6.529 -17.045 -9.610 1.00 0.00 C ATOM 241 C ALA A 19 6.720 -15.787 -8.765 1.00 0.00 C ATOM 242 O ALA A 19 5.859 -14.907 -8.747 1.00 0.00 O ATOM 243 CB ALA A 19 5.061 -17.439 -9.647 1.00 0.00 C ATOM 0 H ALA A 19 6.889 -18.694 -8.366 1.00 0.00 H new ATOM 0 HA ALA A 19 6.863 -16.820 -10.623 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.470 -16.605 -10.025 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.932 -18.301 -10.301 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.727 -17.694 -8.641 1.00 0.00 H new ATOM 249 N ALA A 20 7.850 -15.707 -8.069 1.00 0.00 N ATOM 250 CA ALA A 20 8.147 -14.554 -7.229 1.00 0.00 C ATOM 251 C ALA A 20 9.157 -13.633 -7.904 1.00 0.00 C ATOM 252 O ALA A 20 9.135 -12.418 -7.705 1.00 0.00 O ATOM 253 CB ALA A 20 8.669 -15.010 -5.873 1.00 0.00 C ATOM 0 H ALA A 20 8.573 -16.426 -8.071 1.00 0.00 H new ATOM 0 HA ALA A 20 7.224 -13.994 -7.081 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.887 -14.139 -5.255 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.915 -15.624 -5.381 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.579 -15.594 -6.011 1.00 0.00 H new ATOM 259 N GLN A 21 10.040 -14.220 -8.705 1.00 0.00 N ATOM 260 CA GLN A 21 11.058 -13.454 -9.414 1.00 0.00 C ATOM 261 C GLN A 21 10.479 -12.817 -10.673 1.00 0.00 C ATOM 262 O GLN A 21 10.910 -11.743 -11.092 1.00 0.00 O ATOM 263 CB GLN A 21 12.240 -14.353 -9.781 1.00 0.00 C ATOM 264 CG GLN A 21 11.844 -15.577 -10.591 1.00 0.00 C ATOM 265 CD GLN A 21 12.297 -16.875 -9.951 1.00 0.00 C ATOM 266 OE1 GLN A 21 12.887 -17.731 -10.609 1.00 0.00 O ATOM 267 NE2 GLN A 21 12.021 -17.025 -8.661 1.00 0.00 N ATOM 0 H GLN A 21 10.071 -15.225 -8.879 1.00 0.00 H new ATOM 0 HA GLN A 21 11.406 -12.660 -8.753 1.00 0.00 H new ATOM 0 HB2 GLN A 21 12.966 -13.771 -10.349 1.00 0.00 H new ATOM 0 HB3 GLN A 21 12.737 -14.678 -8.867 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.761 -15.594 -10.709 1.00 0.00 H new ATOM 0 HG3 GLN A 21 12.273 -15.500 -11.590 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.529 -16.288 -8.156 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.301 -17.877 -8.175 1.00 0.00 H new ATOM 276 N ARG A 22 9.499 -13.488 -11.271 1.00 0.00 N ATOM 277 CA ARG A 22 8.859 -12.986 -12.482 1.00 0.00 C ATOM 278 C ARG A 22 8.203 -11.633 -12.229 1.00 0.00 C ATOM 279 O ARG A 22 8.237 -10.746 -13.082 1.00 0.00 O ATOM 280 CB ARG A 22 7.815 -13.987 -12.983 1.00 0.00 C ATOM 281 CG ARG A 22 8.312 -15.424 -13.006 1.00 0.00 C ATOM 282 CD ARG A 22 8.437 -15.950 -14.427 1.00 0.00 C ATOM 283 NE ARG A 22 8.545 -17.407 -14.465 1.00 0.00 N ATOM 284 CZ ARG A 22 8.413 -18.132 -15.574 1.00 0.00 C ATOM 285 NH1 ARG A 22 8.168 -17.540 -16.736 1.00 0.00 N ATOM 286 NH2 ARG A 22 8.525 -19.451 -15.520 1.00 0.00 N ATOM 0 H ARG A 22 9.131 -14.379 -10.937 1.00 0.00 H new ATOM 0 HA ARG A 22 9.627 -12.860 -13.245 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.932 -13.927 -12.347 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.504 -13.703 -13.988 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.280 -15.483 -12.509 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.626 -16.056 -12.442 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.569 -15.636 -15.007 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.314 -15.509 -14.901 1.00 0.00 H new ATOM 0 HE ARG A 22 8.733 -17.897 -13.590 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.080 -16.525 -16.783 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.068 -18.100 -17.583 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.712 -19.911 -14.629 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.424 -20.007 -16.369 1.00 0.00 H new ATOM 300 N LEU A 23 7.607 -11.482 -11.051 1.00 0.00 N ATOM 301 CA LEU A 23 6.944 -10.238 -10.683 1.00 0.00 C ATOM 302 C LEU A 23 7.708 -9.523 -9.573 1.00 0.00 C ATOM 303 O LEU A 23 7.117 -8.825 -8.749 1.00 0.00 O ATOM 304 CB LEU A 23 5.507 -10.514 -10.233 1.00 0.00 C ATOM 305 CG LEU A 23 4.493 -9.431 -10.603 1.00 0.00 C ATOM 306 CD1 LEU A 23 4.358 -9.319 -12.114 1.00 0.00 C ATOM 307 CD2 LEU A 23 3.143 -9.725 -9.965 1.00 0.00 C ATOM 0 H LEU A 23 7.570 -12.207 -10.335 1.00 0.00 H new ATOM 0 HA LEU A 23 6.924 -9.592 -11.561 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.181 -11.459 -10.668 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.500 -10.642 -9.151 1.00 0.00 H new ATOM 0 HG LEU A 23 4.854 -8.476 -10.220 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.632 -8.543 -12.358 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.324 -9.061 -12.547 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.021 -10.272 -12.521 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.433 -8.944 -10.239 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.776 -10.689 -10.318 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.251 -9.753 -8.881 1.00 0.00 H new ATOM 319 N SER A 24 9.025 -9.703 -9.559 1.00 0.00 N ATOM 320 CA SER A 24 9.871 -9.075 -8.550 1.00 0.00 C ATOM 321 C SER A 24 9.956 -7.569 -8.773 1.00 0.00 C ATOM 322 O SER A 24 10.042 -6.793 -7.821 1.00 0.00 O ATOM 323 CB SER A 24 11.272 -9.688 -8.576 1.00 0.00 C ATOM 324 OG SER A 24 11.406 -10.699 -7.592 1.00 0.00 O ATOM 0 H SER A 24 9.529 -10.278 -10.234 1.00 0.00 H new ATOM 0 HA SER A 24 9.423 -9.254 -7.573 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.470 -10.108 -9.562 1.00 0.00 H new ATOM 0 HB3 SER A 24 12.016 -8.910 -8.406 1.00 0.00 H new ATOM 0 HG SER A 24 10.569 -11.204 -7.526 1.00 0.00 H new ATOM 330 N GLU A 25 9.930 -7.161 -10.037 1.00 0.00 N ATOM 331 CA GLU A 25 10.003 -5.748 -10.386 1.00 0.00 C ATOM 332 C GLU A 25 8.831 -4.980 -9.783 1.00 0.00 C ATOM 333 O GLU A 25 8.981 -3.841 -9.343 1.00 0.00 O ATOM 334 CB GLU A 25 10.018 -5.577 -11.907 1.00 0.00 C ATOM 335 CG GLU A 25 11.391 -5.243 -12.467 1.00 0.00 C ATOM 336 CD GLU A 25 11.435 -5.309 -13.980 1.00 0.00 C ATOM 337 OE1 GLU A 25 10.362 -5.205 -14.611 1.00 0.00 O ATOM 338 OE2 GLU A 25 12.543 -5.465 -14.536 1.00 0.00 O ATOM 0 H GLU A 25 9.859 -7.790 -10.837 1.00 0.00 H new ATOM 0 HA GLU A 25 10.928 -5.343 -9.975 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.659 -6.495 -12.371 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.320 -4.786 -12.183 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.678 -4.243 -12.142 1.00 0.00 H new ATOM 0 HG3 GLU A 25 12.125 -5.935 -12.055 1.00 0.00 H new ATOM 345 N GLU A 26 7.663 -5.615 -9.767 1.00 0.00 N ATOM 346 CA GLU A 26 6.464 -4.992 -9.217 1.00 0.00 C ATOM 347 C GLU A 26 6.498 -5.005 -7.692 1.00 0.00 C ATOM 348 O GLU A 26 5.961 -4.109 -7.041 1.00 0.00 O ATOM 349 CB GLU A 26 5.213 -5.716 -9.723 1.00 0.00 C ATOM 350 CG GLU A 26 4.346 -4.867 -10.637 1.00 0.00 C ATOM 351 CD GLU A 26 2.953 -5.437 -10.816 1.00 0.00 C ATOM 352 OE1 GLU A 26 2.481 -6.148 -9.904 1.00 0.00 O ATOM 353 OE2 GLU A 26 2.333 -5.171 -11.867 1.00 0.00 O ATOM 0 H GLU A 26 7.521 -6.559 -10.128 1.00 0.00 H new ATOM 0 HA GLU A 26 6.433 -3.955 -9.551 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.516 -6.617 -10.257 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.619 -6.037 -8.868 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.272 -3.859 -10.228 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.827 -4.781 -11.611 1.00 0.00 H new ATOM 360 N LYS A 27 7.133 -6.028 -7.128 1.00 0.00 N ATOM 361 CA LYS A 27 7.238 -6.158 -5.680 1.00 0.00 C ATOM 362 C LYS A 27 8.265 -5.179 -5.120 1.00 0.00 C ATOM 363 O LYS A 27 8.079 -4.620 -4.039 1.00 0.00 O ATOM 364 CB LYS A 27 7.623 -7.590 -5.302 1.00 0.00 C ATOM 365 CG LYS A 27 7.666 -7.832 -3.802 1.00 0.00 C ATOM 366 CD LYS A 27 7.315 -9.270 -3.460 1.00 0.00 C ATOM 367 CE LYS A 27 8.466 -10.213 -3.767 1.00 0.00 C ATOM 368 NZ LYS A 27 8.033 -11.638 -3.760 1.00 0.00 N ATOM 0 H LYS A 27 7.582 -6.779 -7.652 1.00 0.00 H new ATOM 0 HA LYS A 27 6.265 -5.924 -5.247 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.910 -8.280 -5.753 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.600 -7.819 -5.727 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.661 -7.599 -3.423 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.970 -7.158 -3.303 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.057 -9.341 -2.403 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.434 -9.574 -4.024 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.887 -9.966 -4.742 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.258 -10.071 -3.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.847 -12.249 -3.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.654 -11.881 -2.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.295 -11.780 -4.479 1.00 0.00 H new ATOM 382 N ALA A 28 9.348 -4.973 -5.863 1.00 0.00 N ATOM 383 CA ALA A 28 10.402 -4.060 -5.440 1.00 0.00 C ATOM 384 C ALA A 28 9.873 -2.636 -5.310 1.00 0.00 C ATOM 385 O ALA A 28 10.269 -1.896 -4.408 1.00 0.00 O ATOM 386 CB ALA A 28 11.564 -4.106 -6.421 1.00 0.00 C ATOM 0 H ALA A 28 9.518 -5.426 -6.761 1.00 0.00 H new ATOM 0 HA ALA A 28 10.756 -4.380 -4.460 1.00 0.00 H new ATOM 0 HB1 ALA A 28 12.344 -3.419 -6.093 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.965 -5.119 -6.462 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.216 -3.813 -7.411 1.00 0.00 H new ATOM 392 N GLN A 29 8.975 -2.259 -6.214 1.00 0.00 N ATOM 393 CA GLN A 29 8.389 -0.923 -6.199 1.00 0.00 C ATOM 394 C GLN A 29 7.267 -0.834 -5.172 1.00 0.00 C ATOM 395 O GLN A 29 7.046 0.217 -4.569 1.00 0.00 O ATOM 396 CB GLN A 29 7.856 -0.563 -7.587 1.00 0.00 C ATOM 397 CG GLN A 29 8.902 -0.658 -8.685 1.00 0.00 C ATOM 398 CD GLN A 29 8.304 -0.530 -10.072 1.00 0.00 C ATOM 399 OE1 GLN A 29 7.151 -0.128 -10.228 1.00 0.00 O ATOM 400 NE2 GLN A 29 9.087 -0.872 -11.088 1.00 0.00 N ATOM 0 H GLN A 29 8.637 -2.859 -6.966 1.00 0.00 H new ATOM 0 HA GLN A 29 9.168 -0.213 -5.921 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.025 -1.225 -7.831 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.459 0.452 -7.562 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.647 0.125 -8.541 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.423 -1.612 -8.604 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.037 -1.200 -10.912 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.739 -0.807 -12.045 1.00 0.00 H new ATOM 409 N ALA A 30 6.561 -1.943 -4.976 1.00 0.00 N ATOM 410 CA ALA A 30 5.461 -1.991 -4.020 1.00 0.00 C ATOM 411 C ALA A 30 5.980 -2.042 -2.587 1.00 0.00 C ATOM 412 O ALA A 30 5.317 -1.576 -1.660 1.00 0.00 O ATOM 413 CB ALA A 30 4.569 -3.189 -4.304 1.00 0.00 C ATOM 0 H ALA A 30 6.731 -2.821 -5.467 1.00 0.00 H new ATOM 0 HA ALA A 30 4.874 -1.080 -4.132 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.752 -3.213 -3.583 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.162 -3.109 -5.312 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.153 -4.105 -4.221 1.00 0.00 H new ATOM 419 N SER A 31 7.168 -2.611 -2.411 1.00 0.00 N ATOM 420 CA SER A 31 7.775 -2.722 -1.090 1.00 0.00 C ATOM 421 C SER A 31 8.786 -1.603 -0.857 1.00 0.00 C ATOM 422 O SER A 31 9.774 -1.786 -0.147 1.00 0.00 O ATOM 423 CB SER A 31 8.456 -4.082 -0.932 1.00 0.00 C ATOM 424 OG SER A 31 7.514 -5.138 -1.011 1.00 0.00 O ATOM 0 H SER A 31 7.730 -3.003 -3.167 1.00 0.00 H new ATOM 0 HA SER A 31 6.984 -2.631 -0.346 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.211 -4.206 -1.708 1.00 0.00 H new ATOM 0 HB3 SER A 31 8.974 -4.124 0.026 1.00 0.00 H new ATOM 0 HG SER A 31 7.371 -5.379 -1.950 1.00 0.00 H new ATOM 430 N ALA A 32 8.531 -0.447 -1.461 1.00 0.00 N ATOM 431 CA ALA A 32 9.420 0.700 -1.319 1.00 0.00 C ATOM 432 C ALA A 32 8.627 2.002 -1.239 1.00 0.00 C ATOM 433 O ALA A 32 9.114 3.061 -1.637 1.00 0.00 O ATOM 434 CB ALA A 32 10.405 0.750 -2.476 1.00 0.00 C ATOM 0 H ALA A 32 7.717 -0.280 -2.053 1.00 0.00 H new ATOM 0 HA ALA A 32 9.976 0.586 -0.388 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.062 1.611 -2.357 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.001 -0.163 -2.486 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.859 0.837 -3.415 1.00 0.00 H new ATOM 440 N ILE A 33 7.406 1.916 -0.724 1.00 0.00 N ATOM 441 CA ILE A 33 6.548 3.086 -0.592 1.00 0.00 C ATOM 442 C ILE A 33 5.810 3.079 0.742 1.00 0.00 C ATOM 443 O ILE A 33 4.776 2.425 0.887 1.00 0.00 O ATOM 444 CB ILE A 33 5.517 3.159 -1.735 1.00 0.00 C ATOM 445 CG1 ILE A 33 6.205 2.960 -3.086 1.00 0.00 C ATOM 446 CG2 ILE A 33 4.781 4.490 -1.700 1.00 0.00 C ATOM 447 CD1 ILE A 33 5.241 2.693 -4.222 1.00 0.00 C ATOM 0 H ILE A 33 6.988 1.047 -0.391 1.00 0.00 H new ATOM 0 HA ILE A 33 7.197 3.960 -0.641 1.00 0.00 H new ATOM 0 HB ILE A 33 4.789 2.359 -1.599 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.792 3.848 -3.320 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.904 2.127 -3.010 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.056 4.527 -2.513 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.262 4.594 -0.747 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.496 5.304 -1.815 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.799 2.562 -5.149 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.671 1.788 -4.010 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.558 3.536 -4.325 1.00 0.00 H new ATOM 459 N SER A 34 6.345 3.811 1.713 1.00 0.00 N ATOM 460 CA SER A 34 5.736 3.888 3.036 1.00 0.00 C ATOM 461 C SER A 34 4.365 4.550 2.966 1.00 0.00 C ATOM 462 O SER A 34 4.130 5.429 2.137 1.00 0.00 O ATOM 463 CB SER A 34 6.642 4.666 3.992 1.00 0.00 C ATOM 464 OG SER A 34 7.665 3.835 4.515 1.00 0.00 O ATOM 0 H SER A 34 7.199 4.359 1.609 1.00 0.00 H new ATOM 0 HA SER A 34 5.610 2.872 3.410 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.088 5.511 3.468 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.048 5.075 4.809 1.00 0.00 H new ATOM 0 HG SER A 34 8.231 4.356 5.122 1.00 0.00 H new ATOM 470 N VAL A 35 3.461 4.122 3.841 1.00 0.00 N ATOM 471 CA VAL A 35 2.112 4.673 3.878 1.00 0.00 C ATOM 472 C VAL A 35 2.083 6.006 4.619 1.00 0.00 C ATOM 473 O VAL A 35 2.611 6.123 5.726 1.00 0.00 O ATOM 474 CB VAL A 35 1.127 3.702 4.556 1.00 0.00 C ATOM 475 CG1 VAL A 35 -0.303 4.202 4.410 1.00 0.00 C ATOM 476 CG2 VAL A 35 1.272 2.303 3.977 1.00 0.00 C ATOM 0 H VAL A 35 3.639 3.395 4.534 1.00 0.00 H new ATOM 0 HA VAL A 35 1.805 4.827 2.844 1.00 0.00 H new ATOM 0 HB VAL A 35 1.364 3.657 5.619 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.984 3.503 4.895 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.395 5.182 4.878 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.555 4.279 3.352 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.568 1.631 4.468 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.063 2.328 2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.289 1.945 4.140 1.00 0.00 H new ATOM 486 N GLY A 36 1.466 7.007 4.001 1.00 0.00 N ATOM 487 CA GLY A 36 1.381 8.318 4.617 1.00 0.00 C ATOM 488 C GLY A 36 2.446 9.269 4.107 1.00 0.00 C ATOM 489 O GLY A 36 2.868 10.180 4.821 1.00 0.00 O ATOM 0 H GLY A 36 1.023 6.934 3.085 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.396 8.743 4.424 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.478 8.215 5.698 1.00 0.00 H new ATOM 493 N SER A 37 2.883 9.057 2.870 1.00 0.00 N ATOM 494 CA SER A 37 3.906 9.903 2.265 1.00 0.00 C ATOM 495 C SER A 37 3.428 10.464 0.930 1.00 0.00 C ATOM 496 O SER A 37 2.897 9.735 0.092 1.00 0.00 O ATOM 497 CB SER A 37 5.199 9.110 2.065 1.00 0.00 C ATOM 498 OG SER A 37 6.065 9.255 3.178 1.00 0.00 O ATOM 0 H SER A 37 2.545 8.307 2.267 1.00 0.00 H new ATOM 0 HA SER A 37 4.100 10.737 2.940 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.964 8.056 1.919 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.703 9.453 1.161 1.00 0.00 H new ATOM 0 HG SER A 37 6.883 8.737 3.026 1.00 0.00 H new ATOM 504 N ARG A 38 3.621 11.766 0.740 1.00 0.00 N ATOM 505 CA ARG A 38 3.209 12.426 -0.493 1.00 0.00 C ATOM 506 C ARG A 38 3.992 11.889 -1.688 1.00 0.00 C ATOM 507 O ARG A 38 5.223 11.874 -1.679 1.00 0.00 O ATOM 508 CB ARG A 38 3.409 13.939 -0.378 1.00 0.00 C ATOM 509 CG ARG A 38 2.366 14.624 0.490 1.00 0.00 C ATOM 510 CD ARG A 38 1.153 15.045 -0.323 1.00 0.00 C ATOM 511 NE ARG A 38 1.193 16.464 -0.672 1.00 0.00 N ATOM 512 CZ ARG A 38 0.865 17.443 0.168 1.00 0.00 C ATOM 513 NH1 ARG A 38 0.471 17.162 1.405 1.00 0.00 N ATOM 514 NH2 ARG A 38 0.930 18.706 -0.229 1.00 0.00 N ATOM 0 H ARG A 38 4.059 12.383 1.423 1.00 0.00 H new ATOM 0 HA ARG A 38 2.151 12.216 -0.650 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.399 14.136 0.033 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.385 14.378 -1.376 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.054 13.949 1.287 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.807 15.499 0.968 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.103 14.449 -1.234 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.246 14.837 0.245 1.00 0.00 H new ATOM 0 HE ARG A 38 1.490 16.719 -1.614 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.419 16.192 1.716 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.221 17.916 2.044 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.231 18.927 -1.178 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.679 19.456 0.414 1.00 0.00 H new ATOM 528 N CYS A 39 3.269 11.447 -2.712 1.00 0.00 N ATOM 529 CA CYS A 39 3.896 10.909 -3.913 1.00 0.00 C ATOM 530 C CYS A 39 3.098 11.283 -5.158 1.00 0.00 C ATOM 531 O CYS A 39 1.890 11.509 -5.088 1.00 0.00 O ATOM 532 CB CYS A 39 4.019 9.387 -3.813 1.00 0.00 C ATOM 533 SG CYS A 39 4.650 8.801 -2.222 1.00 0.00 S ATOM 0 H CYS A 39 2.249 11.451 -2.734 1.00 0.00 H new ATOM 0 HA CYS A 39 4.892 11.343 -3.996 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.040 8.942 -3.990 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.678 9.033 -4.606 1.00 0.00 H new ATOM 0 HG CYS A 39 3.772 9.038 -1.293 1.00 0.00 H new ATOM 539 N GLU A 40 3.781 11.348 -6.296 1.00 0.00 N ATOM 540 CA GLU A 40 3.136 11.696 -7.557 1.00 0.00 C ATOM 541 C GLU A 40 2.526 10.460 -8.212 1.00 0.00 C ATOM 542 O GLU A 40 2.880 9.329 -7.879 1.00 0.00 O ATOM 543 CB GLU A 40 4.142 12.352 -8.504 1.00 0.00 C ATOM 544 CG GLU A 40 3.749 13.757 -8.930 1.00 0.00 C ATOM 545 CD GLU A 40 4.857 14.472 -9.677 1.00 0.00 C ATOM 546 OE1 GLU A 40 6.027 14.056 -9.545 1.00 0.00 O ATOM 547 OE2 GLU A 40 4.555 15.448 -10.396 1.00 0.00 O ATOM 0 H GLU A 40 4.781 11.164 -6.371 1.00 0.00 H new ATOM 0 HA GLU A 40 2.335 12.405 -7.347 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.117 12.388 -8.017 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.252 11.729 -9.392 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.863 13.706 -9.563 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.477 14.337 -8.048 1.00 0.00 H new ATOM 554 N VAL A 41 1.609 10.684 -9.147 1.00 0.00 N ATOM 555 CA VAL A 41 0.951 9.589 -9.850 1.00 0.00 C ATOM 556 C VAL A 41 0.838 9.882 -11.342 1.00 0.00 C ATOM 557 O VAL A 41 0.353 10.938 -11.744 1.00 0.00 O ATOM 558 CB VAL A 41 -0.456 9.323 -9.284 1.00 0.00 C ATOM 559 CG1 VAL A 41 -1.044 8.057 -9.886 1.00 0.00 C ATOM 560 CG2 VAL A 41 -0.414 9.232 -7.766 1.00 0.00 C ATOM 0 H VAL A 41 1.305 11.614 -9.436 1.00 0.00 H new ATOM 0 HA VAL A 41 1.568 8.703 -9.702 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.100 10.159 -9.556 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.038 7.886 -9.474 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.114 8.167 -10.968 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.402 7.209 -9.648 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.418 9.044 -7.385 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.246 8.417 -7.468 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.040 10.170 -7.355 1.00 0.00 H new ATOM 570 N ARG A 42 1.291 8.936 -12.160 1.00 0.00 N ATOM 571 CA ARG A 42 1.242 9.089 -13.609 1.00 0.00 C ATOM 572 C ARG A 42 0.327 8.042 -14.235 1.00 0.00 C ATOM 573 O ARG A 42 0.696 6.873 -14.353 1.00 0.00 O ATOM 574 CB ARG A 42 2.647 8.977 -14.203 1.00 0.00 C ATOM 575 CG ARG A 42 2.861 9.849 -15.429 1.00 0.00 C ATOM 576 CD ARG A 42 3.920 9.266 -16.350 1.00 0.00 C ATOM 577 NE ARG A 42 3.679 9.609 -17.749 1.00 0.00 N ATOM 578 CZ ARG A 42 4.330 9.058 -18.770 1.00 0.00 C ATOM 579 NH1 ARG A 42 5.261 8.137 -18.554 1.00 0.00 N ATOM 580 NH2 ARG A 42 4.050 9.429 -20.012 1.00 0.00 N ATOM 0 H ARG A 42 1.696 8.055 -11.843 1.00 0.00 H new ATOM 0 HA ARG A 42 0.840 10.077 -13.832 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.377 9.250 -13.441 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.838 7.937 -14.469 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.922 9.951 -15.972 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.160 10.850 -15.117 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.902 9.633 -16.051 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.938 8.182 -16.241 1.00 0.00 H new ATOM 0 HE ARG A 42 2.970 10.312 -17.955 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.481 7.848 -17.601 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.757 7.718 -19.341 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.336 10.137 -20.184 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.549 9.007 -20.795 1.00 0.00 H new ATOM 594 N ALA A 43 -0.867 8.467 -14.634 1.00 0.00 N ATOM 595 CA ALA A 43 -1.834 7.565 -15.247 1.00 0.00 C ATOM 596 C ALA A 43 -2.485 8.205 -16.470 1.00 0.00 C ATOM 597 O ALA A 43 -2.621 9.427 -16.543 1.00 0.00 O ATOM 598 CB ALA A 43 -2.893 7.160 -14.234 1.00 0.00 C ATOM 0 H ALA A 43 -1.188 9.431 -14.544 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.302 6.672 -15.577 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.609 6.486 -14.705 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.418 6.654 -13.393 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.413 8.049 -13.876 1.00 0.00 H new ATOM 604 N PRO A 44 -2.901 7.384 -17.450 1.00 0.00 N ATOM 605 CA PRO A 44 -3.542 7.877 -18.673 1.00 0.00 C ATOM 606 C PRO A 44 -4.960 8.378 -18.422 1.00 0.00 C ATOM 607 O PRO A 44 -5.925 7.844 -18.968 1.00 0.00 O ATOM 608 CB PRO A 44 -3.561 6.645 -19.581 1.00 0.00 C ATOM 609 CG PRO A 44 -3.579 5.488 -18.643 1.00 0.00 C ATOM 610 CD PRO A 44 -2.778 5.914 -17.442 1.00 0.00 C ATOM 0 HA PRO A 44 -3.012 8.729 -19.098 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.437 6.644 -20.229 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.685 6.616 -20.229 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.600 5.231 -18.360 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.145 4.603 -19.107 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.174 5.483 -16.522 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.738 5.598 -17.520 1.00 0.00 H new ATOM 618 N ASP A 45 -5.079 9.409 -17.592 1.00 0.00 N ATOM 619 CA ASP A 45 -6.380 9.984 -17.267 1.00 0.00 C ATOM 620 C ASP A 45 -6.385 11.490 -17.507 1.00 0.00 C ATOM 621 O ASP A 45 -7.275 12.020 -18.171 1.00 0.00 O ATOM 622 CB ASP A 45 -6.742 9.687 -15.811 1.00 0.00 C ATOM 623 CG ASP A 45 -6.924 8.204 -15.551 1.00 0.00 C ATOM 624 OD1 ASP A 45 -6.008 7.425 -15.888 1.00 0.00 O ATOM 625 OD2 ASP A 45 -7.984 7.821 -15.011 1.00 0.00 O ATOM 0 H ASP A 45 -4.290 9.864 -17.132 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.124 9.528 -17.920 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.959 10.074 -15.159 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.661 10.214 -15.553 1.00 0.00 H new ATOM 630 N HIS A 46 -5.384 12.175 -16.961 1.00 0.00 N ATOM 631 CA HIS A 46 -5.274 13.621 -17.115 1.00 0.00 C ATOM 632 C HIS A 46 -3.813 14.058 -17.114 1.00 0.00 C ATOM 633 O HIS A 46 -3.260 14.412 -18.155 1.00 0.00 O ATOM 634 CB HIS A 46 -6.036 14.333 -15.995 1.00 0.00 C ATOM 635 CG HIS A 46 -7.034 15.332 -16.492 1.00 0.00 C ATOM 636 ND1 HIS A 46 -8.284 15.491 -15.930 1.00 0.00 N ATOM 637 CD2 HIS A 46 -6.963 16.227 -17.506 1.00 0.00 C ATOM 638 CE1 HIS A 46 -8.938 16.440 -16.576 1.00 0.00 C ATOM 639 NE2 HIS A 46 -8.159 16.902 -17.536 1.00 0.00 N ATOM 0 H HIS A 46 -4.638 11.752 -16.409 1.00 0.00 H new ATOM 0 HA HIS A 46 -5.714 13.895 -18.074 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -6.551 13.589 -15.387 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.322 14.838 -15.345 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.123 16.381 -18.167 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -9.939 16.780 -16.356 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.405 17.641 -18.194 1.00 0.00 H new ATOM 648 N SER A 47 -3.193 14.030 -15.939 1.00 0.00 N ATOM 649 CA SER A 47 -1.795 14.424 -15.802 1.00 0.00 C ATOM 650 C SER A 47 -1.232 13.970 -14.458 1.00 0.00 C ATOM 651 O SER A 47 -1.909 13.290 -13.689 1.00 0.00 O ATOM 652 CB SER A 47 -1.655 15.941 -15.940 1.00 0.00 C ATOM 653 OG SER A 47 -1.376 16.307 -17.281 1.00 0.00 O ATOM 0 H SER A 47 -3.636 13.739 -15.068 1.00 0.00 H new ATOM 0 HA SER A 47 -1.227 13.940 -16.597 1.00 0.00 H new ATOM 0 HB2 SER A 47 -2.574 16.426 -15.611 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.856 16.297 -15.289 1.00 0.00 H new ATOM 0 HG SER A 47 -1.927 15.770 -17.888 1.00 0.00 H new ATOM 659 N LEU A 48 0.011 14.352 -14.185 1.00 0.00 N ATOM 660 CA LEU A 48 0.665 13.984 -12.935 1.00 0.00 C ATOM 661 C LEU A 48 0.123 14.813 -11.773 1.00 0.00 C ATOM 662 O LEU A 48 0.135 16.043 -11.817 1.00 0.00 O ATOM 663 CB LEU A 48 2.180 14.172 -13.052 1.00 0.00 C ATOM 664 CG LEU A 48 2.975 12.883 -13.270 1.00 0.00 C ATOM 665 CD1 LEU A 48 4.280 13.179 -13.994 1.00 0.00 C ATOM 666 CD2 LEU A 48 3.245 12.193 -11.942 1.00 0.00 C ATOM 0 H LEU A 48 0.585 14.916 -14.812 1.00 0.00 H new ATOM 0 HA LEU A 48 0.452 12.933 -12.737 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.384 14.852 -13.879 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.542 14.656 -12.145 1.00 0.00 H new ATOM 0 HG LEU A 48 2.382 12.212 -13.891 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.833 12.251 -14.141 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.065 13.630 -14.962 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.879 13.868 -13.398 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.811 11.278 -12.116 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.819 12.858 -11.297 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.298 11.948 -11.460 1.00 0.00 H new ATOM 678 N ARG A 49 -0.351 14.129 -10.736 1.00 0.00 N ATOM 679 CA ARG A 49 -0.896 14.802 -9.562 1.00 0.00 C ATOM 680 C ARG A 49 -0.206 14.320 -8.291 1.00 0.00 C ATOM 681 O ARG A 49 0.578 13.372 -8.320 1.00 0.00 O ATOM 682 CB ARG A 49 -2.404 14.557 -9.462 1.00 0.00 C ATOM 683 CG ARG A 49 -3.141 14.749 -10.778 1.00 0.00 C ATOM 684 CD ARG A 49 -4.471 14.012 -10.787 1.00 0.00 C ATOM 685 NE ARG A 49 -4.511 12.968 -11.810 1.00 0.00 N ATOM 686 CZ ARG A 49 -5.380 11.960 -11.807 1.00 0.00 C ATOM 687 NH1 ARG A 49 -6.281 11.854 -10.837 1.00 0.00 N ATOM 688 NH2 ARG A 49 -5.347 11.055 -12.775 1.00 0.00 N ATOM 0 H ARG A 49 -0.369 13.110 -10.685 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.715 15.871 -9.670 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.576 13.542 -9.104 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.825 15.233 -8.718 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.312 15.812 -10.948 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.520 14.391 -11.599 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.646 13.567 -9.807 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.278 14.723 -10.963 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.833 13.015 -12.571 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -6.309 12.547 -10.089 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -6.945 11.079 -10.840 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.656 11.131 -13.521 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.013 10.282 -12.773 1.00 0.00 H new ATOM 702 N ARG A 50 -0.505 14.979 -7.176 1.00 0.00 N ATOM 703 CA ARG A 50 0.088 14.617 -5.892 1.00 0.00 C ATOM 704 C ARG A 50 -0.971 14.078 -4.937 1.00 0.00 C ATOM 705 O ARG A 50 -2.089 14.592 -4.879 1.00 0.00 O ATOM 706 CB ARG A 50 0.784 15.829 -5.270 1.00 0.00 C ATOM 707 CG ARG A 50 2.118 16.163 -5.918 1.00 0.00 C ATOM 708 CD ARG A 50 3.221 16.318 -4.882 1.00 0.00 C ATOM 709 NE ARG A 50 4.386 17.017 -5.421 1.00 0.00 N ATOM 710 CZ ARG A 50 5.329 17.577 -4.667 1.00 0.00 C ATOM 711 NH1 ARG A 50 5.250 17.524 -3.344 1.00 0.00 N ATOM 712 NH2 ARG A 50 6.355 18.193 -5.240 1.00 0.00 N ATOM 0 H ARG A 50 -1.153 15.765 -7.135 1.00 0.00 H new ATOM 0 HA ARG A 50 0.825 13.833 -6.067 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.126 16.694 -5.346 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.942 15.641 -4.208 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.388 15.376 -6.623 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.024 17.086 -6.491 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.836 16.866 -4.022 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.523 15.334 -4.524 1.00 0.00 H new ATOM 0 HE ARG A 50 4.482 17.079 -6.435 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.463 17.052 -2.899 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.976 17.955 -2.772 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.420 18.237 -6.257 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.078 18.623 -4.664 1.00 0.00 H new ATOM 726 N GLY A 51 -0.614 13.039 -4.190 1.00 0.00 N ATOM 727 CA GLY A 51 -1.545 12.447 -3.248 1.00 0.00 C ATOM 728 C GLY A 51 -0.854 11.897 -2.016 1.00 0.00 C ATOM 729 O GLY A 51 0.122 12.473 -1.534 1.00 0.00 O ATOM 0 H GLY A 51 0.304 12.596 -4.220 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.277 13.196 -2.946 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.095 11.645 -3.741 1.00 0.00 H new ATOM 733 N THR A 52 -1.359 10.780 -1.505 1.00 0.00 N ATOM 734 CA THR A 52 -0.784 10.151 -0.322 1.00 0.00 C ATOM 735 C THR A 52 -1.060 8.651 -0.313 1.00 0.00 C ATOM 736 O THR A 52 -2.177 8.214 -0.589 1.00 0.00 O ATOM 737 CB THR A 52 -1.348 10.793 0.947 1.00 0.00 C ATOM 738 OG1 THR A 52 -1.549 12.182 0.760 1.00 0.00 O ATOM 739 CG2 THR A 52 -0.453 10.617 2.156 1.00 0.00 C ATOM 0 H THR A 52 -2.166 10.291 -1.892 1.00 0.00 H new ATOM 0 HA THR A 52 0.295 10.302 -0.349 1.00 0.00 H new ATOM 0 HB THR A 52 -2.291 10.280 1.135 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.911 12.574 1.582 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.912 11.096 3.021 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.319 9.554 2.358 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.517 11.074 1.960 1.00 0.00 H new ATOM 747 N VAL A 53 -0.035 7.868 0.008 1.00 0.00 N ATOM 748 CA VAL A 53 -0.168 6.417 0.054 1.00 0.00 C ATOM 749 C VAL A 53 -1.013 5.981 1.245 1.00 0.00 C ATOM 750 O VAL A 53 -0.757 6.382 2.381 1.00 0.00 O ATOM 751 CB VAL A 53 1.209 5.728 0.134 1.00 0.00 C ATOM 752 CG1 VAL A 53 1.058 4.218 0.025 1.00 0.00 C ATOM 753 CG2 VAL A 53 2.137 6.257 -0.949 1.00 0.00 C ATOM 0 H VAL A 53 0.896 8.214 0.240 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.663 6.115 -0.869 1.00 0.00 H new ATOM 0 HB VAL A 53 1.652 5.957 1.103 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.040 3.749 0.083 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.433 3.855 0.841 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.592 3.967 -0.928 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.103 5.758 -0.876 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.701 6.061 -1.929 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.272 7.331 -0.820 1.00 0.00 H new ATOM 763 N MET A 54 -2.022 5.158 0.979 1.00 0.00 N ATOM 764 CA MET A 54 -2.906 4.667 2.030 1.00 0.00 C ATOM 765 C MET A 54 -2.785 3.154 2.181 1.00 0.00 C ATOM 766 O MET A 54 -2.737 2.633 3.295 1.00 0.00 O ATOM 767 CB MET A 54 -4.357 5.045 1.725 1.00 0.00 C ATOM 768 CG MET A 54 -4.524 6.472 1.228 1.00 0.00 C ATOM 769 SD MET A 54 -4.641 6.573 -0.568 1.00 0.00 S ATOM 770 CE MET A 54 -6.411 6.421 -0.800 1.00 0.00 C ATOM 0 H MET A 54 -2.248 4.817 0.045 1.00 0.00 H new ATOM 0 HA MET A 54 -2.606 5.134 2.968 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.752 4.360 0.975 1.00 0.00 H new ATOM 0 HB3 MET A 54 -4.955 4.911 2.626 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.421 6.904 1.671 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.680 7.072 1.567 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.626 5.524 -1.381 1.00 0.00 H new ATOM 0 HE2 MET A 54 -6.901 6.351 0.171 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.785 7.296 -1.332 1.00 0.00 H new ATOM 780 N TYR A 55 -2.736 2.455 1.052 1.00 0.00 N ATOM 781 CA TYR A 55 -2.620 1.001 1.058 1.00 0.00 C ATOM 782 C TYR A 55 -1.655 0.529 -0.025 1.00 0.00 C ATOM 783 O TYR A 55 -1.629 1.075 -1.128 1.00 0.00 O ATOM 784 CB TYR A 55 -3.992 0.358 0.850 1.00 0.00 C ATOM 785 CG TYR A 55 -4.081 -1.059 1.369 1.00 0.00 C ATOM 786 CD1 TYR A 55 -3.569 -2.121 0.633 1.00 0.00 C ATOM 787 CD2 TYR A 55 -4.678 -1.336 2.592 1.00 0.00 C ATOM 788 CE1 TYR A 55 -3.649 -3.419 1.103 1.00 0.00 C ATOM 789 CE2 TYR A 55 -4.762 -2.631 3.069 1.00 0.00 C ATOM 790 CZ TYR A 55 -4.247 -3.668 2.321 1.00 0.00 C ATOM 791 OH TYR A 55 -4.328 -4.958 2.792 1.00 0.00 O ATOM 0 H TYR A 55 -2.775 2.871 0.122 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.227 0.696 2.028 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.748 0.966 1.347 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.228 0.362 -0.214 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.101 -1.929 -0.321 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.083 -0.526 3.180 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.245 -4.233 0.520 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.229 -2.829 4.023 1.00 0.00 H new ATOM 0 HH TYR A 55 -4.777 -4.961 3.663 1.00 0.00 H new ATOM 801 N VAL A 56 -0.864 -0.489 0.296 1.00 0.00 N ATOM 802 CA VAL A 56 0.101 -1.035 -0.650 1.00 0.00 C ATOM 803 C VAL A 56 0.176 -2.554 -0.544 1.00 0.00 C ATOM 804 O VAL A 56 0.365 -3.103 0.541 1.00 0.00 O ATOM 805 CB VAL A 56 1.507 -0.446 -0.420 1.00 0.00 C ATOM 806 CG1 VAL A 56 2.453 -0.871 -1.532 1.00 0.00 C ATOM 807 CG2 VAL A 56 1.440 1.070 -0.315 1.00 0.00 C ATOM 0 H VAL A 56 -0.872 -0.953 1.205 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.243 -0.760 -1.647 1.00 0.00 H new ATOM 0 HB VAL A 56 1.894 -0.835 0.522 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.440 -0.446 -1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.525 -1.958 -1.553 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.073 -0.514 -2.489 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.442 1.468 -0.153 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.031 1.481 -1.238 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.799 1.349 0.521 1.00 0.00 H new ATOM 817 N GLY A 57 0.027 -3.229 -1.680 1.00 0.00 N ATOM 818 CA GLY A 57 0.081 -4.679 -1.694 1.00 0.00 C ATOM 819 C GLY A 57 -0.583 -5.272 -2.920 1.00 0.00 C ATOM 820 O GLY A 57 -0.509 -4.706 -4.011 1.00 0.00 O ATOM 0 H GLY A 57 -0.130 -2.797 -2.591 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.122 -5.001 -1.657 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.405 -5.066 -0.798 1.00 0.00 H new ATOM 824 N LEU A 58 -1.235 -6.417 -2.743 1.00 0.00 N ATOM 825 CA LEU A 58 -1.916 -7.089 -3.843 1.00 0.00 C ATOM 826 C LEU A 58 -3.412 -6.795 -3.818 1.00 0.00 C ATOM 827 O LEU A 58 -3.907 -6.121 -2.915 1.00 0.00 O ATOM 828 CB LEU A 58 -1.679 -8.598 -3.772 1.00 0.00 C ATOM 829 CG LEU A 58 -0.253 -9.046 -4.103 1.00 0.00 C ATOM 830 CD1 LEU A 58 -0.109 -10.548 -3.913 1.00 0.00 C ATOM 831 CD2 LEU A 58 0.113 -8.649 -5.524 1.00 0.00 C ATOM 0 H LEU A 58 -1.306 -6.899 -1.847 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.505 -6.708 -4.778 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.928 -8.943 -2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.367 -9.091 -4.458 1.00 0.00 H new ATOM 0 HG LEU A 58 0.433 -8.546 -3.419 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.911 -10.849 -4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.330 -10.807 -2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.805 -11.067 -4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.130 -8.975 -5.742 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.578 -9.121 -6.223 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.049 -7.566 -5.627 1.00 0.00 H new ATOM 843 N THR A 59 -4.128 -7.305 -4.815 1.00 0.00 N ATOM 844 CA THR A 59 -5.568 -7.098 -4.907 1.00 0.00 C ATOM 845 C THR A 59 -6.260 -8.332 -5.475 1.00 0.00 C ATOM 846 O THR A 59 -5.608 -9.318 -5.819 1.00 0.00 O ATOM 847 CB THR A 59 -5.874 -5.878 -5.778 1.00 0.00 C ATOM 848 OG1 THR A 59 -5.300 -6.026 -7.065 1.00 0.00 O ATOM 849 CG2 THR A 59 -5.363 -4.580 -5.193 1.00 0.00 C ATOM 0 H THR A 59 -3.734 -7.865 -5.571 1.00 0.00 H new ATOM 0 HA THR A 59 -5.950 -6.922 -3.901 1.00 0.00 H new ATOM 0 HB THR A 59 -6.961 -5.828 -5.833 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.042 -5.146 -7.411 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.614 -3.756 -5.861 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.826 -4.412 -4.220 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.281 -4.635 -5.075 1.00 0.00 H new ATOM 857 N ASP A 60 -7.584 -8.271 -5.571 1.00 0.00 N ATOM 858 CA ASP A 60 -8.365 -9.385 -6.097 1.00 0.00 C ATOM 859 C ASP A 60 -9.019 -9.014 -7.425 1.00 0.00 C ATOM 860 O ASP A 60 -9.156 -9.853 -8.315 1.00 0.00 O ATOM 861 CB ASP A 60 -9.434 -9.808 -5.085 1.00 0.00 C ATOM 862 CG ASP A 60 -9.088 -11.109 -4.390 1.00 0.00 C ATOM 863 OD1 ASP A 60 -7.888 -11.452 -4.334 1.00 0.00 O ATOM 864 OD2 ASP A 60 -10.017 -11.787 -3.902 1.00 0.00 O ATOM 0 H ASP A 60 -8.139 -7.462 -5.291 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.688 -10.222 -6.270 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.556 -9.022 -4.340 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.391 -9.915 -5.595 1.00 0.00 H new ATOM 869 N PHE A 61 -9.420 -7.753 -7.551 1.00 0.00 N ATOM 870 CA PHE A 61 -10.059 -7.274 -8.771 1.00 0.00 C ATOM 871 C PHE A 61 -9.089 -7.318 -9.947 1.00 0.00 C ATOM 872 O PHE A 61 -9.481 -7.606 -11.078 1.00 0.00 O ATOM 873 CB PHE A 61 -10.577 -5.849 -8.575 1.00 0.00 C ATOM 874 CG PHE A 61 -9.519 -4.880 -8.129 1.00 0.00 C ATOM 875 CD1 PHE A 61 -8.647 -4.317 -9.045 1.00 0.00 C ATOM 876 CD2 PHE A 61 -9.399 -4.534 -6.793 1.00 0.00 C ATOM 877 CE1 PHE A 61 -7.673 -3.425 -8.638 1.00 0.00 C ATOM 878 CE2 PHE A 61 -8.427 -3.642 -6.379 1.00 0.00 C ATOM 879 CZ PHE A 61 -7.563 -3.088 -7.303 1.00 0.00 C ATOM 0 H PHE A 61 -9.314 -7.045 -6.824 1.00 0.00 H new ATOM 0 HA PHE A 61 -10.900 -7.931 -8.993 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -11.009 -5.496 -9.512 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -11.380 -5.862 -7.838 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -8.729 -4.578 -10.090 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -10.072 -4.966 -6.067 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.999 -2.992 -9.362 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -8.344 -3.379 -5.335 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.802 -2.392 -6.982 1.00 0.00 H new ATOM 889 N LYS A 62 -7.820 -7.031 -9.674 1.00 0.00 N ATOM 890 CA LYS A 62 -6.795 -7.040 -10.712 1.00 0.00 C ATOM 891 C LYS A 62 -5.508 -7.687 -10.203 1.00 0.00 C ATOM 892 O LYS A 62 -5.145 -7.530 -9.038 1.00 0.00 O ATOM 893 CB LYS A 62 -6.509 -5.613 -11.185 1.00 0.00 C ATOM 894 CG LYS A 62 -7.514 -5.098 -12.202 1.00 0.00 C ATOM 895 CD LYS A 62 -7.074 -5.403 -13.624 1.00 0.00 C ATOM 896 CE LYS A 62 -6.063 -4.385 -14.129 1.00 0.00 C ATOM 897 NZ LYS A 62 -4.741 -5.008 -14.412 1.00 0.00 N ATOM 0 H LYS A 62 -7.477 -6.790 -8.744 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.168 -7.628 -11.551 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.504 -4.947 -10.322 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.511 -5.577 -11.622 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.487 -5.553 -12.016 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.637 -4.022 -12.081 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -6.637 -6.401 -13.664 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.944 -5.409 -14.281 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.444 -3.914 -15.035 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.941 -3.596 -13.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.081 -4.281 -14.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.365 -5.435 -13.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.852 -5.744 -15.139 1.00 0.00 H new ATOM 911 N PRO A 63 -4.800 -8.427 -11.074 1.00 0.00 N ATOM 912 CA PRO A 63 -3.551 -9.097 -10.705 1.00 0.00 C ATOM 913 C PRO A 63 -2.381 -8.124 -10.599 1.00 0.00 C ATOM 914 O PRO A 63 -2.306 -7.145 -11.342 1.00 0.00 O ATOM 915 CB PRO A 63 -3.328 -10.077 -11.855 1.00 0.00 C ATOM 916 CG PRO A 63 -3.980 -9.431 -13.028 1.00 0.00 C ATOM 917 CD PRO A 63 -5.160 -8.669 -12.485 1.00 0.00 C ATOM 0 HA PRO A 63 -3.614 -9.572 -9.726 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.266 -10.244 -12.034 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.772 -11.049 -11.640 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.287 -8.763 -13.540 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.300 -10.177 -13.756 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.316 -7.735 -13.024 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.082 -9.244 -12.570 1.00 0.00 H new ATOM 925 N GLY A 64 -1.470 -8.400 -9.672 1.00 0.00 N ATOM 926 CA GLY A 64 -0.316 -7.540 -9.486 1.00 0.00 C ATOM 927 C GLY A 64 -0.397 -6.731 -8.207 1.00 0.00 C ATOM 928 O GLY A 64 -1.300 -6.931 -7.395 1.00 0.00 O ATOM 0 H GLY A 64 -1.510 -9.204 -9.046 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.588 -8.148 -9.471 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.230 -6.863 -10.336 1.00 0.00 H new ATOM 932 N TYR A 65 0.550 -5.816 -8.028 1.00 0.00 N ATOM 933 CA TYR A 65 0.583 -4.974 -6.838 1.00 0.00 C ATOM 934 C TYR A 65 -0.062 -3.619 -7.112 1.00 0.00 C ATOM 935 O TYR A 65 0.070 -3.067 -8.205 1.00 0.00 O ATOM 936 CB TYR A 65 2.025 -4.780 -6.366 1.00 0.00 C ATOM 937 CG TYR A 65 2.612 -5.998 -5.692 1.00 0.00 C ATOM 938 CD1 TYR A 65 2.476 -6.194 -4.323 1.00 0.00 C ATOM 939 CD2 TYR A 65 3.304 -6.956 -6.424 1.00 0.00 C ATOM 940 CE1 TYR A 65 3.011 -7.307 -3.704 1.00 0.00 C ATOM 941 CE2 TYR A 65 3.842 -8.071 -5.812 1.00 0.00 C ATOM 942 CZ TYR A 65 3.693 -8.242 -4.452 1.00 0.00 C ATOM 943 OH TYR A 65 4.227 -9.352 -3.838 1.00 0.00 O ATOM 0 H TYR A 65 1.304 -5.639 -8.691 1.00 0.00 H new ATOM 0 HA TYR A 65 0.015 -5.474 -6.053 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.646 -4.515 -7.222 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.061 -3.939 -5.673 1.00 0.00 H new ATOM 0 HD1 TYR A 65 1.943 -5.463 -3.733 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.423 -6.826 -7.490 1.00 0.00 H new ATOM 0 HE1 TYR A 65 2.895 -7.444 -2.639 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.377 -8.805 -6.396 1.00 0.00 H new ATOM 0 HH TYR A 65 4.237 -10.102 -4.469 1.00 0.00 H new ATOM 953 N TRP A 66 -0.758 -3.088 -6.113 1.00 0.00 N ATOM 954 CA TRP A 66 -1.423 -1.797 -6.245 1.00 0.00 C ATOM 955 C TRP A 66 -1.005 -0.852 -5.123 1.00 0.00 C ATOM 956 O TRP A 66 -0.516 -1.288 -4.080 1.00 0.00 O ATOM 957 CB TRP A 66 -2.943 -1.979 -6.233 1.00 0.00 C ATOM 958 CG TRP A 66 -3.479 -2.586 -7.493 1.00 0.00 C ATOM 959 CD1 TRP A 66 -3.683 -3.913 -7.741 1.00 0.00 C ATOM 960 CD2 TRP A 66 -3.879 -1.889 -8.679 1.00 0.00 C ATOM 961 NE1 TRP A 66 -4.186 -4.084 -9.009 1.00 0.00 N ATOM 962 CE2 TRP A 66 -4.315 -2.856 -9.604 1.00 0.00 C ATOM 963 CE3 TRP A 66 -3.911 -0.541 -9.048 1.00 0.00 C ATOM 964 CZ2 TRP A 66 -4.777 -2.518 -10.874 1.00 0.00 C ATOM 965 CZ3 TRP A 66 -4.371 -0.207 -10.308 1.00 0.00 C ATOM 966 CH2 TRP A 66 -4.798 -1.192 -11.207 1.00 0.00 C ATOM 0 H TRP A 66 -0.876 -3.532 -5.202 1.00 0.00 H new ATOM 0 HA TRP A 66 -1.123 -1.358 -7.197 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -3.219 -2.610 -5.388 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -3.416 -1.010 -6.075 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -3.479 -4.712 -7.043 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -4.424 -4.979 -9.437 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.582 0.225 -8.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -5.106 -3.275 -11.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -4.402 0.831 -10.604 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -5.151 -0.898 -12.184 1.00 0.00 H new ATOM 977 N VAL A 67 -1.199 0.444 -5.343 1.00 0.00 N ATOM 978 CA VAL A 67 -0.841 1.450 -4.351 1.00 0.00 C ATOM 979 C VAL A 67 -1.881 2.565 -4.298 1.00 0.00 C ATOM 980 O VAL A 67 -1.929 3.424 -5.178 1.00 0.00 O ATOM 981 CB VAL A 67 0.540 2.066 -4.646 1.00 0.00 C ATOM 982 CG1 VAL A 67 0.979 2.967 -3.502 1.00 0.00 C ATOM 983 CG2 VAL A 67 1.567 0.973 -4.899 1.00 0.00 C ATOM 0 H VAL A 67 -1.602 0.822 -6.200 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.805 0.943 -3.387 1.00 0.00 H new ATOM 0 HB VAL A 67 0.462 2.675 -5.546 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.956 3.393 -3.729 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.254 3.771 -3.373 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.041 2.384 -2.583 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.537 1.426 -5.106 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.644 0.336 -4.018 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.257 0.373 -5.755 1.00 0.00 H new ATOM 993 N GLY A 68 -2.713 2.542 -3.262 1.00 0.00 N ATOM 994 CA GLY A 68 -3.742 3.555 -3.115 1.00 0.00 C ATOM 995 C GLY A 68 -3.165 4.937 -2.879 1.00 0.00 C ATOM 996 O GLY A 68 -2.311 5.121 -2.012 1.00 0.00 O ATOM 0 H GLY A 68 -2.693 1.840 -2.522 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.362 3.572 -4.011 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.393 3.289 -2.282 1.00 0.00 H new ATOM 1000 N VAL A 69 -3.633 5.911 -3.653 1.00 0.00 N ATOM 1001 CA VAL A 69 -3.159 7.284 -3.523 1.00 0.00 C ATOM 1002 C VAL A 69 -4.325 8.260 -3.410 1.00 0.00 C ATOM 1003 O VAL A 69 -5.185 8.322 -4.290 1.00 0.00 O ATOM 1004 CB VAL A 69 -2.281 7.689 -4.722 1.00 0.00 C ATOM 1005 CG1 VAL A 69 -1.636 9.045 -4.479 1.00 0.00 C ATOM 1006 CG2 VAL A 69 -1.223 6.629 -4.992 1.00 0.00 C ATOM 0 H VAL A 69 -4.339 5.775 -4.376 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.562 7.328 -2.612 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.917 7.768 -5.603 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.020 9.314 -5.337 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.412 9.797 -4.340 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.013 8.997 -3.586 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.613 6.933 -5.842 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.589 6.515 -4.113 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.708 5.679 -5.215 1.00 0.00 H new ATOM 1016 N ARG A 70 -4.349 9.022 -2.322 1.00 0.00 N ATOM 1017 CA ARG A 70 -5.409 9.996 -2.093 1.00 0.00 C ATOM 1018 C ARG A 70 -4.920 11.412 -2.380 1.00 0.00 C ATOM 1019 O ARG A 70 -4.006 11.909 -1.721 1.00 0.00 O ATOM 1020 CB ARG A 70 -5.915 9.901 -0.652 1.00 0.00 C ATOM 1021 CG ARG A 70 -7.236 10.621 -0.423 1.00 0.00 C ATOM 1022 CD ARG A 70 -7.213 11.434 0.861 1.00 0.00 C ATOM 1023 NE ARG A 70 -6.729 12.795 0.639 1.00 0.00 N ATOM 1024 CZ ARG A 70 -6.937 13.803 1.483 1.00 0.00 C ATOM 1025 NH1 ARG A 70 -7.618 13.608 2.605 1.00 0.00 N ATOM 1026 NH2 ARG A 70 -6.460 15.009 1.205 1.00 0.00 N ATOM 0 H ARG A 70 -3.646 8.984 -1.584 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.229 9.770 -2.775 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.032 8.851 -0.385 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.162 10.318 0.017 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.444 11.278 -1.267 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.046 9.893 -0.379 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.217 11.471 1.285 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.576 10.938 1.593 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.201 12.984 -0.213 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.985 12.682 2.824 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.774 14.384 3.248 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.934 15.164 0.345 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.619 15.782 1.851 1.00 0.00 H new ATOM 1040 N TYR A 71 -5.533 12.056 -3.367 1.00 0.00 N ATOM 1041 CA TYR A 71 -5.160 13.414 -3.742 1.00 0.00 C ATOM 1042 C TYR A 71 -5.799 14.433 -2.804 1.00 0.00 C ATOM 1043 O TYR A 71 -6.629 14.083 -1.965 1.00 0.00 O ATOM 1044 CB TYR A 71 -5.578 13.701 -5.185 1.00 0.00 C ATOM 1045 CG TYR A 71 -5.160 12.624 -6.162 1.00 0.00 C ATOM 1046 CD1 TYR A 71 -3.909 12.653 -6.764 1.00 0.00 C ATOM 1047 CD2 TYR A 71 -6.019 11.580 -6.483 1.00 0.00 C ATOM 1048 CE1 TYR A 71 -3.524 11.671 -7.656 1.00 0.00 C ATOM 1049 CE2 TYR A 71 -5.641 10.594 -7.375 1.00 0.00 C ATOM 1050 CZ TYR A 71 -4.393 10.645 -7.960 1.00 0.00 C ATOM 1051 OH TYR A 71 -4.014 9.666 -8.848 1.00 0.00 O ATOM 0 H TYR A 71 -6.291 11.659 -3.922 1.00 0.00 H new ATOM 0 HA TYR A 71 -4.077 13.501 -3.661 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -6.661 13.815 -5.225 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.145 14.651 -5.498 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.226 13.456 -6.531 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -6.998 11.538 -6.028 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.546 11.707 -8.113 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -6.319 9.788 -7.613 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.388 10.042 -9.502 1.00 0.00 H new ATOM 1061 N ASP A 72 -5.409 15.694 -2.953 1.00 0.00 N ATOM 1062 CA ASP A 72 -5.946 16.764 -2.120 1.00 0.00 C ATOM 1063 C ASP A 72 -7.066 17.507 -2.843 1.00 0.00 C ATOM 1064 O ASP A 72 -7.283 18.697 -2.615 1.00 0.00 O ATOM 1065 CB ASP A 72 -4.834 17.742 -1.732 1.00 0.00 C ATOM 1066 CG ASP A 72 -4.870 18.104 -0.260 1.00 0.00 C ATOM 1067 OD1 ASP A 72 -4.973 17.180 0.575 1.00 0.00 O ATOM 1068 OD2 ASP A 72 -4.794 19.309 0.058 1.00 0.00 O ATOM 0 H ASP A 72 -4.723 16.001 -3.643 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.358 16.316 -1.216 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.866 17.301 -1.971 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.927 18.649 -2.329 1.00 0.00 H new ATOM 1073 N GLU A 73 -7.773 16.797 -3.716 1.00 0.00 N ATOM 1074 CA GLU A 73 -8.871 17.387 -4.474 1.00 0.00 C ATOM 1075 C GLU A 73 -9.680 16.304 -5.184 1.00 0.00 C ATOM 1076 O GLU A 73 -9.245 15.156 -5.282 1.00 0.00 O ATOM 1077 CB GLU A 73 -8.329 18.393 -5.493 1.00 0.00 C ATOM 1078 CG GLU A 73 -8.562 19.842 -5.098 1.00 0.00 C ATOM 1079 CD GLU A 73 -8.247 20.810 -6.223 1.00 0.00 C ATOM 1080 OE1 GLU A 73 -7.084 20.832 -6.678 1.00 0.00 O ATOM 1081 OE2 GLU A 73 -9.162 21.545 -6.647 1.00 0.00 O ATOM 0 H GLU A 73 -7.605 15.811 -3.916 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.528 17.907 -3.778 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.259 18.227 -5.622 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.799 18.208 -6.459 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.601 19.969 -4.794 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -7.945 20.083 -4.233 1.00 0.00 H new ATOM 1088 N PRO A 74 -10.874 16.655 -5.694 1.00 0.00 N ATOM 1089 CA PRO A 74 -11.741 15.705 -6.398 1.00 0.00 C ATOM 1090 C PRO A 74 -11.132 15.236 -7.716 1.00 0.00 C ATOM 1091 O PRO A 74 -11.565 15.645 -8.793 1.00 0.00 O ATOM 1092 CB PRO A 74 -13.022 16.506 -6.654 1.00 0.00 C ATOM 1093 CG PRO A 74 -12.594 17.932 -6.620 1.00 0.00 C ATOM 1094 CD PRO A 74 -11.470 18.002 -5.625 1.00 0.00 C ATOM 0 HA PRO A 74 -11.904 14.796 -5.818 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -13.463 16.249 -7.617 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -13.775 16.301 -5.893 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -12.265 18.264 -7.605 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -13.419 18.580 -6.324 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -10.748 18.776 -5.887 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.833 18.231 -4.623 1.00 0.00 H new ATOM 1102 N LEU A 75 -10.124 14.374 -7.622 1.00 0.00 N ATOM 1103 CA LEU A 75 -9.454 13.849 -8.806 1.00 0.00 C ATOM 1104 C LEU A 75 -9.292 12.335 -8.712 1.00 0.00 C ATOM 1105 O LEU A 75 -8.334 11.770 -9.239 1.00 0.00 O ATOM 1106 CB LEU A 75 -8.084 14.509 -8.978 1.00 0.00 C ATOM 1107 CG LEU A 75 -8.050 16.014 -8.704 1.00 0.00 C ATOM 1108 CD1 LEU A 75 -6.665 16.440 -8.242 1.00 0.00 C ATOM 1109 CD2 LEU A 75 -8.462 16.790 -9.946 1.00 0.00 C ATOM 0 H LEU A 75 -9.754 14.025 -6.738 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.072 14.078 -9.674 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.375 14.018 -8.311 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.738 14.333 -9.997 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.761 16.237 -7.908 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.659 17.513 -8.052 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.407 15.908 -7.326 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.935 16.205 -9.016 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.432 17.859 -9.734 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.775 16.563 -10.761 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.474 16.505 -10.234 1.00 0.00 H new ATOM 1121 N GLY A 76 -10.234 11.685 -8.037 1.00 0.00 N ATOM 1122 CA GLY A 76 -10.177 10.243 -7.887 1.00 0.00 C ATOM 1123 C GLY A 76 -11.098 9.522 -8.851 1.00 0.00 C ATOM 1124 O GLY A 76 -11.396 10.029 -9.933 1.00 0.00 O ATOM 0 H GLY A 76 -11.036 12.131 -7.591 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -9.153 9.905 -8.046 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.446 9.976 -6.865 1.00 0.00 H new ATOM 1128 N LYS A 77 -11.551 8.336 -8.458 1.00 0.00 N ATOM 1129 CA LYS A 77 -12.445 7.543 -9.294 1.00 0.00 C ATOM 1130 C LYS A 77 -13.460 6.787 -8.442 1.00 0.00 C ATOM 1131 O LYS A 77 -14.667 6.875 -8.673 1.00 0.00 O ATOM 1132 CB LYS A 77 -11.640 6.558 -10.146 1.00 0.00 C ATOM 1133 CG LYS A 77 -11.368 7.058 -11.557 1.00 0.00 C ATOM 1134 CD LYS A 77 -12.537 6.770 -12.487 1.00 0.00 C ATOM 1135 CE LYS A 77 -12.094 6.004 -13.723 1.00 0.00 C ATOM 1136 NZ LYS A 77 -11.559 6.910 -14.776 1.00 0.00 N ATOM 0 H LYS A 77 -11.314 7.903 -7.566 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.986 8.223 -9.952 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.690 6.354 -9.652 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.180 5.613 -10.202 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.177 8.131 -11.533 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.467 6.582 -11.945 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -13.294 6.195 -11.954 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.003 7.708 -12.788 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.329 5.278 -13.446 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.937 5.441 -14.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.268 6.349 -15.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.296 7.586 -15.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.738 7.429 -14.403 1.00 0.00 H new ATOM 1150 N ASN A 78 -12.963 6.046 -7.457 1.00 0.00 N ATOM 1151 CA ASN A 78 -13.828 5.274 -6.570 1.00 0.00 C ATOM 1152 C ASN A 78 -13.603 5.666 -5.114 1.00 0.00 C ATOM 1153 O ASN A 78 -12.807 6.556 -4.816 1.00 0.00 O ATOM 1154 CB ASN A 78 -13.575 3.776 -6.751 1.00 0.00 C ATOM 1155 CG ASN A 78 -12.097 3.437 -6.784 1.00 0.00 C ATOM 1156 OD1 ASN A 78 -11.399 3.558 -5.777 1.00 0.00 O ATOM 1157 ND2 ASN A 78 -11.612 3.011 -7.944 1.00 0.00 N ATOM 0 H ASN A 78 -11.967 5.963 -7.252 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.863 5.495 -6.832 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -14.052 3.229 -5.938 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -14.042 3.441 -7.677 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -10.625 2.769 -8.026 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.227 2.926 -8.753 1.00 0.00 H new ATOM 1164 N ASP A 79 -14.311 4.996 -4.211 1.00 0.00 N ATOM 1165 CA ASP A 79 -14.189 5.273 -2.784 1.00 0.00 C ATOM 1166 C ASP A 79 -13.059 4.459 -2.164 1.00 0.00 C ATOM 1167 O ASP A 79 -12.420 4.894 -1.206 1.00 0.00 O ATOM 1168 CB ASP A 79 -15.509 4.966 -2.072 1.00 0.00 C ATOM 1169 CG ASP A 79 -15.879 3.497 -2.145 1.00 0.00 C ATOM 1170 OD1 ASP A 79 -16.393 3.066 -3.196 1.00 0.00 O ATOM 1171 OD2 ASP A 79 -15.654 2.780 -1.147 1.00 0.00 O ATOM 0 H ASP A 79 -14.975 4.257 -4.442 1.00 0.00 H new ATOM 0 HA ASP A 79 -13.955 6.331 -2.662 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -15.433 5.267 -1.027 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.306 5.561 -2.518 1.00 0.00 H new ATOM 1176 N GLY A 80 -12.818 3.274 -2.716 1.00 0.00 N ATOM 1177 CA GLY A 80 -11.763 2.418 -2.203 1.00 0.00 C ATOM 1178 C GLY A 80 -12.146 0.951 -2.224 1.00 0.00 C ATOM 1179 O GLY A 80 -11.390 0.113 -2.715 1.00 0.00 O ATOM 0 H GLY A 80 -13.334 2.891 -3.509 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.860 2.563 -2.796 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.524 2.713 -1.181 1.00 0.00 H new ATOM 1183 N SER A 81 -13.323 0.641 -1.690 1.00 0.00 N ATOM 1184 CA SER A 81 -13.804 -0.734 -1.648 1.00 0.00 C ATOM 1185 C SER A 81 -14.132 -1.237 -3.051 1.00 0.00 C ATOM 1186 O SER A 81 -14.829 -0.569 -3.814 1.00 0.00 O ATOM 1187 CB SER A 81 -15.042 -0.836 -0.756 1.00 0.00 C ATOM 1188 OG SER A 81 -14.717 -0.574 0.599 1.00 0.00 O ATOM 0 H SER A 81 -13.961 1.324 -1.281 1.00 0.00 H new ATOM 0 HA SER A 81 -13.013 -1.358 -1.232 1.00 0.00 H new ATOM 0 HB2 SER A 81 -15.798 -0.128 -1.095 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.476 -1.832 -0.843 1.00 0.00 H new ATOM 0 HG SER A 81 -15.525 -0.644 1.149 1.00 0.00 H new ATOM 1194 N VAL A 82 -13.622 -2.419 -3.384 1.00 0.00 N ATOM 1195 CA VAL A 82 -13.859 -3.011 -4.695 1.00 0.00 C ATOM 1196 C VAL A 82 -14.218 -4.487 -4.573 1.00 0.00 C ATOM 1197 O VAL A 82 -13.504 -5.260 -3.935 1.00 0.00 O ATOM 1198 CB VAL A 82 -12.628 -2.867 -5.608 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -12.959 -3.308 -7.025 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -12.117 -1.434 -5.593 1.00 0.00 C ATOM 0 H VAL A 82 -13.042 -2.985 -2.764 1.00 0.00 H new ATOM 0 HA VAL A 82 -14.695 -2.471 -5.139 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.838 -3.514 -5.227 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -12.077 -3.199 -7.655 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.273 -4.352 -7.017 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.765 -2.690 -7.419 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.247 -1.351 -6.244 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -12.901 -0.765 -5.948 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -11.837 -1.158 -4.576 1.00 0.00 H new ATOM 1210 N ASN A 83 -15.331 -4.872 -5.191 1.00 0.00 N ATOM 1211 CA ASN A 83 -15.787 -6.258 -5.153 1.00 0.00 C ATOM 1212 C ASN A 83 -16.042 -6.710 -3.720 1.00 0.00 C ATOM 1213 O ASN A 83 -15.915 -7.891 -3.399 1.00 0.00 O ATOM 1214 CB ASN A 83 -14.755 -7.173 -5.815 1.00 0.00 C ATOM 1215 CG ASN A 83 -14.994 -7.330 -7.304 1.00 0.00 C ATOM 1216 OD1 ASN A 83 -15.351 -6.234 -7.963 1.00 0.00 O flip ATOM 1217 ND2 ASN A 83 -14.858 -8.423 -7.853 1.00 0.00 N flip ATOM 0 H ASN A 83 -15.933 -4.244 -5.724 1.00 0.00 H new ATOM 0 HA ASN A 83 -16.725 -6.321 -5.704 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -13.756 -6.769 -5.651 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -14.784 -8.153 -5.340 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -14.582 -9.238 -7.305 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -15.021 -8.514 -8.856 1.00 0.00 H new ATOM 1224 N GLY A 84 -16.402 -5.761 -2.862 1.00 0.00 N ATOM 1225 CA GLY A 84 -16.672 -6.080 -1.472 1.00 0.00 C ATOM 1226 C GLY A 84 -15.463 -5.864 -0.580 1.00 0.00 C ATOM 1227 O GLY A 84 -15.606 -5.548 0.601 1.00 0.00 O ATOM 0 H GLY A 84 -16.512 -4.776 -3.105 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -17.497 -5.464 -1.115 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -16.994 -7.119 -1.397 1.00 0.00 H new ATOM 1231 N LYS A 85 -14.273 -6.035 -1.145 1.00 0.00 N ATOM 1232 CA LYS A 85 -13.037 -5.857 -0.392 1.00 0.00 C ATOM 1233 C LYS A 85 -12.798 -4.383 -0.079 1.00 0.00 C ATOM 1234 O LYS A 85 -13.372 -3.502 -0.717 1.00 0.00 O ATOM 1235 CB LYS A 85 -11.852 -6.426 -1.176 1.00 0.00 C ATOM 1236 CG LYS A 85 -11.331 -7.743 -0.621 1.00 0.00 C ATOM 1237 CD LYS A 85 -10.056 -7.545 0.182 1.00 0.00 C ATOM 1238 CE LYS A 85 -9.111 -8.727 0.033 1.00 0.00 C ATOM 1239 NZ LYS A 85 -8.976 -9.494 1.303 1.00 0.00 N ATOM 0 H LYS A 85 -14.138 -6.297 -2.122 1.00 0.00 H new ATOM 0 HA LYS A 85 -13.132 -6.397 0.550 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -12.150 -6.571 -2.214 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.043 -5.696 -1.176 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -12.093 -8.199 0.011 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -11.141 -8.435 -1.442 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -9.555 -6.635 -0.148 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -10.306 -7.408 1.234 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.477 -9.388 -0.753 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.130 -8.370 -0.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.324 -10.291 1.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.603 -8.871 2.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.907 -9.856 1.590 1.00 0.00 H new ATOM 1253 N ARG A 86 -11.946 -4.124 0.908 1.00 0.00 N ATOM 1254 CA ARG A 86 -11.631 -2.757 1.306 1.00 0.00 C ATOM 1255 C ARG A 86 -10.123 -2.565 1.441 1.00 0.00 C ATOM 1256 O ARG A 86 -9.387 -3.517 1.706 1.00 0.00 O ATOM 1257 CB ARG A 86 -12.320 -2.416 2.629 1.00 0.00 C ATOM 1258 CG ARG A 86 -12.285 -0.935 2.968 1.00 0.00 C ATOM 1259 CD ARG A 86 -12.953 -0.653 4.304 1.00 0.00 C ATOM 1260 NE ARG A 86 -14.317 -0.157 4.139 1.00 0.00 N ATOM 1261 CZ ARG A 86 -14.992 0.486 5.088 1.00 0.00 C ATOM 1262 NH1 ARG A 86 -14.433 0.713 6.271 1.00 0.00 N ATOM 1263 NH2 ARG A 86 -16.229 0.903 4.856 1.00 0.00 N ATOM 0 H ARG A 86 -11.462 -4.842 1.446 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.998 -2.085 0.530 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.358 -2.746 2.584 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -11.842 -2.976 3.433 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.251 -0.592 2.998 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.786 -0.369 2.183 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.968 -1.565 4.901 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -12.365 0.080 4.856 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.779 -0.313 3.243 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -13.482 0.394 6.455 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -14.955 1.206 6.995 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -16.664 0.731 3.949 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -16.746 1.396 5.584 1.00 0.00 H new ATOM 1277 N TYR A 87 -9.669 -1.330 1.258 1.00 0.00 N ATOM 1278 CA TYR A 87 -8.249 -1.015 1.360 1.00 0.00 C ATOM 1279 C TYR A 87 -8.019 0.173 2.289 1.00 0.00 C ATOM 1280 O TYR A 87 -7.371 0.044 3.327 1.00 0.00 O ATOM 1281 CB TYR A 87 -7.673 -0.711 -0.025 1.00 0.00 C ATOM 1282 CG TYR A 87 -7.845 -1.843 -1.014 1.00 0.00 C ATOM 1283 CD1 TYR A 87 -8.989 -1.940 -1.795 1.00 0.00 C ATOM 1284 CD2 TYR A 87 -6.863 -2.814 -1.165 1.00 0.00 C ATOM 1285 CE1 TYR A 87 -9.150 -2.972 -2.700 1.00 0.00 C ATOM 1286 CE2 TYR A 87 -7.017 -3.849 -2.068 1.00 0.00 C ATOM 1287 CZ TYR A 87 -8.162 -3.924 -2.833 1.00 0.00 C ATOM 1288 OH TYR A 87 -8.318 -4.952 -3.732 1.00 0.00 O ATOM 0 H TYR A 87 -10.264 -0.531 1.038 1.00 0.00 H new ATOM 0 HA TYR A 87 -7.739 -1.883 1.777 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -8.154 0.183 -0.421 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.611 -0.484 0.074 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.766 -1.197 -1.694 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.965 -2.759 -0.567 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -10.046 -3.032 -3.300 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -6.244 -4.596 -2.174 1.00 0.00 H new ATOM 0 HH TYR A 87 -8.827 -4.634 -4.507 1.00 0.00 H new ATOM 1298 N PHE A 88 -8.555 1.328 1.909 1.00 0.00 N ATOM 1299 CA PHE A 88 -8.409 2.539 2.710 1.00 0.00 C ATOM 1300 C PHE A 88 -9.772 3.113 3.082 1.00 0.00 C ATOM 1301 O PHE A 88 -10.809 2.578 2.693 1.00 0.00 O ATOM 1302 CB PHE A 88 -7.593 3.583 1.946 1.00 0.00 C ATOM 1303 CG PHE A 88 -8.185 3.954 0.617 1.00 0.00 C ATOM 1304 CD1 PHE A 88 -9.189 4.905 0.532 1.00 0.00 C ATOM 1305 CD2 PHE A 88 -7.737 3.351 -0.548 1.00 0.00 C ATOM 1306 CE1 PHE A 88 -9.736 5.248 -0.690 1.00 0.00 C ATOM 1307 CE2 PHE A 88 -8.280 3.690 -1.772 1.00 0.00 C ATOM 1308 CZ PHE A 88 -9.281 4.639 -1.844 1.00 0.00 C ATOM 0 H PHE A 88 -9.094 1.452 1.052 1.00 0.00 H new ATOM 0 HA PHE A 88 -7.883 2.277 3.628 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.503 4.481 2.558 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.584 3.201 1.791 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.548 5.384 1.431 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -6.955 2.608 -0.498 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.518 5.991 -0.743 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -7.922 3.213 -2.672 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.707 4.905 -2.800 1.00 0.00 H new ATOM 1318 N GLU A 89 -9.761 4.206 3.839 1.00 0.00 N ATOM 1319 CA GLU A 89 -10.996 4.854 4.265 1.00 0.00 C ATOM 1320 C GLU A 89 -11.070 6.284 3.737 1.00 0.00 C ATOM 1321 O GLU A 89 -10.544 7.211 4.353 1.00 0.00 O ATOM 1322 CB GLU A 89 -11.095 4.855 5.791 1.00 0.00 C ATOM 1323 CG GLU A 89 -11.721 3.594 6.362 1.00 0.00 C ATOM 1324 CD GLU A 89 -10.710 2.705 7.059 1.00 0.00 C ATOM 1325 OE1 GLU A 89 -10.164 3.128 8.099 1.00 0.00 O ATOM 1326 OE2 GLU A 89 -10.464 1.584 6.564 1.00 0.00 O ATOM 0 H GLU A 89 -8.910 4.661 4.170 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.834 4.291 3.854 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.097 4.977 6.211 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.682 5.717 6.108 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.505 3.869 7.068 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -12.199 3.034 5.558 1.00 0.00 H new ATOM 1333 N CYS A 90 -11.726 6.454 2.594 1.00 0.00 N ATOM 1334 CA CYS A 90 -11.868 7.770 1.984 1.00 0.00 C ATOM 1335 C CYS A 90 -13.106 7.826 1.094 1.00 0.00 C ATOM 1336 O CYS A 90 -13.549 6.807 0.565 1.00 0.00 O ATOM 1337 CB CYS A 90 -10.621 8.114 1.165 1.00 0.00 C ATOM 1338 SG CYS A 90 -9.360 9.023 2.089 1.00 0.00 S ATOM 0 H CYS A 90 -12.167 5.697 2.072 1.00 0.00 H new ATOM 0 HA CYS A 90 -11.983 8.503 2.783 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -10.183 7.191 0.785 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -10.919 8.706 0.300 1.00 0.00 H new ATOM 0 HG CYS A 90 -9.355 8.622 3.326 1.00 0.00 H new ATOM 1344 N GLN A 91 -13.660 9.023 0.933 1.00 0.00 N ATOM 1345 CA GLN A 91 -14.846 9.211 0.107 1.00 0.00 C ATOM 1346 C GLN A 91 -14.551 8.877 -1.353 1.00 0.00 C ATOM 1347 O GLN A 91 -13.418 8.550 -1.708 1.00 0.00 O ATOM 1348 CB GLN A 91 -15.352 10.652 0.225 1.00 0.00 C ATOM 1349 CG GLN A 91 -16.801 10.752 0.671 1.00 0.00 C ATOM 1350 CD GLN A 91 -17.529 11.915 0.027 1.00 0.00 C ATOM 1351 OE1 GLN A 91 -17.775 11.918 -1.179 1.00 0.00 O ATOM 1352 NE2 GLN A 91 -17.881 12.912 0.831 1.00 0.00 N ATOM 0 H GLN A 91 -13.306 9.877 1.364 1.00 0.00 H new ATOM 0 HA GLN A 91 -15.620 8.532 0.465 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -14.724 11.192 0.934 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -15.242 11.147 -0.740 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -17.318 9.824 0.426 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -16.837 10.861 1.755 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -17.657 12.869 1.825 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -18.375 13.721 0.454 1.00 0.00 H new ATOM 1361 N ALA A 92 -15.577 8.960 -2.192 1.00 0.00 N ATOM 1362 CA ALA A 92 -15.428 8.667 -3.613 1.00 0.00 C ATOM 1363 C ALA A 92 -14.848 9.861 -4.362 1.00 0.00 C ATOM 1364 O ALA A 92 -14.965 11.002 -3.918 1.00 0.00 O ATOM 1365 CB ALA A 92 -16.767 8.264 -4.212 1.00 0.00 C ATOM 0 H ALA A 92 -16.521 9.228 -1.913 1.00 0.00 H new ATOM 0 HA ALA A 92 -14.732 7.835 -3.716 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -16.641 8.048 -5.273 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -17.141 7.376 -3.703 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -17.480 9.079 -4.090 1.00 0.00 H new ATOM 1371 N LYS A 93 -14.223 9.589 -5.504 1.00 0.00 N ATOM 1372 CA LYS A 93 -13.625 10.641 -6.318 1.00 0.00 C ATOM 1373 C LYS A 93 -12.532 11.373 -5.544 1.00 0.00 C ATOM 1374 O LYS A 93 -12.439 12.600 -5.590 1.00 0.00 O ATOM 1375 CB LYS A 93 -14.697 11.633 -6.775 1.00 0.00 C ATOM 1376 CG LYS A 93 -15.867 10.978 -7.489 1.00 0.00 C ATOM 1377 CD LYS A 93 -17.060 11.916 -7.583 1.00 0.00 C ATOM 1378 CE LYS A 93 -18.086 11.627 -6.497 1.00 0.00 C ATOM 1379 NZ LYS A 93 -18.273 12.791 -5.587 1.00 0.00 N ATOM 0 H LYS A 93 -14.118 8.649 -5.886 1.00 0.00 H new ATOM 0 HA LYS A 93 -13.174 10.176 -7.195 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -15.070 12.177 -5.907 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -14.241 12.367 -7.440 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -15.560 10.677 -8.491 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -16.157 10.071 -6.958 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -16.720 12.948 -7.498 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -17.527 11.814 -8.562 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -19.040 11.369 -6.958 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -17.767 10.760 -5.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -18.979 12.554 -4.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -17.369 13.021 -5.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -18.602 13.611 -6.136 1.00 0.00 H new ATOM 1393 N TYR A 94 -11.706 10.611 -4.835 1.00 0.00 N ATOM 1394 CA TYR A 94 -10.620 11.187 -4.051 1.00 0.00 C ATOM 1395 C TYR A 94 -9.406 10.263 -4.041 1.00 0.00 C ATOM 1396 O TYR A 94 -8.284 10.694 -4.304 1.00 0.00 O ATOM 1397 CB TYR A 94 -11.081 11.455 -2.618 1.00 0.00 C ATOM 1398 CG TYR A 94 -11.731 12.808 -2.432 1.00 0.00 C ATOM 1399 CD1 TYR A 94 -11.057 13.975 -2.770 1.00 0.00 C ATOM 1400 CD2 TYR A 94 -13.018 12.918 -1.920 1.00 0.00 C ATOM 1401 CE1 TYR A 94 -11.648 15.213 -2.601 1.00 0.00 C ATOM 1402 CE2 TYR A 94 -13.615 14.152 -1.751 1.00 0.00 C ATOM 1403 CZ TYR A 94 -12.926 15.297 -2.092 1.00 0.00 C ATOM 1404 OH TYR A 94 -13.517 16.527 -1.923 1.00 0.00 O ATOM 0 H TYR A 94 -11.768 9.594 -4.787 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.333 12.131 -4.515 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -11.787 10.679 -2.321 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -10.223 11.379 -1.949 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -10.056 13.914 -3.171 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -13.560 12.024 -1.650 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -11.110 16.111 -2.867 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -14.617 14.220 -1.354 1.00 0.00 H new ATOM 0 HH TYR A 94 -14.418 16.409 -1.556 1.00 0.00 H new ATOM 1414 N GLY A 95 -9.640 8.991 -3.737 1.00 0.00 N ATOM 1415 CA GLY A 95 -8.556 8.027 -3.699 1.00 0.00 C ATOM 1416 C GLY A 95 -8.568 7.092 -4.893 1.00 0.00 C ATOM 1417 O GLY A 95 -9.441 6.231 -5.007 1.00 0.00 O ATOM 0 H GLY A 95 -10.560 8.610 -3.516 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.604 8.557 -3.666 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -8.627 7.441 -2.782 1.00 0.00 H new ATOM 1421 N ALA A 96 -7.598 7.261 -5.785 1.00 0.00 N ATOM 1422 CA ALA A 96 -7.500 6.426 -6.976 1.00 0.00 C ATOM 1423 C ALA A 96 -6.570 5.241 -6.739 1.00 0.00 C ATOM 1424 O ALA A 96 -5.799 5.225 -5.780 1.00 0.00 O ATOM 1425 CB ALA A 96 -7.017 7.250 -8.159 1.00 0.00 C ATOM 0 H ALA A 96 -6.868 7.969 -5.706 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.493 6.036 -7.200 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.948 6.614 -9.042 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.721 8.060 -8.349 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.035 7.667 -7.935 1.00 0.00 H new ATOM 1431 N PHE A 97 -6.648 4.249 -7.620 1.00 0.00 N ATOM 1432 CA PHE A 97 -5.813 3.058 -7.508 1.00 0.00 C ATOM 1433 C PHE A 97 -4.821 2.980 -8.664 1.00 0.00 C ATOM 1434 O PHE A 97 -5.212 2.850 -9.824 1.00 0.00 O ATOM 1435 CB PHE A 97 -6.683 1.800 -7.482 1.00 0.00 C ATOM 1436 CG PHE A 97 -7.263 1.500 -6.129 1.00 0.00 C ATOM 1437 CD1 PHE A 97 -6.440 1.377 -5.020 1.00 0.00 C ATOM 1438 CD2 PHE A 97 -8.629 1.338 -5.966 1.00 0.00 C ATOM 1439 CE1 PHE A 97 -6.969 1.100 -3.774 1.00 0.00 C ATOM 1440 CE2 PHE A 97 -9.165 1.061 -4.722 1.00 0.00 C ATOM 1441 CZ PHE A 97 -8.334 0.942 -3.625 1.00 0.00 C ATOM 0 H PHE A 97 -7.281 4.246 -8.420 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.253 3.123 -6.575 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.496 1.915 -8.199 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -6.087 0.949 -7.810 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.373 1.499 -5.131 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -9.283 1.429 -6.821 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.317 1.007 -2.918 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -10.232 0.938 -4.608 1.00 0.00 H new ATOM 0 HZ PHE A 97 -8.750 0.726 -2.652 1.00 0.00 H new ATOM 1451 N VAL A 98 -3.534 3.059 -8.340 1.00 0.00 N ATOM 1452 CA VAL A 98 -2.486 2.996 -9.350 1.00 0.00 C ATOM 1453 C VAL A 98 -1.424 1.968 -8.977 1.00 0.00 C ATOM 1454 O VAL A 98 -1.511 1.321 -7.933 1.00 0.00 O ATOM 1455 CB VAL A 98 -1.810 4.367 -9.546 1.00 0.00 C ATOM 1456 CG1 VAL A 98 -2.716 5.302 -10.334 1.00 0.00 C ATOM 1457 CG2 VAL A 98 -1.439 4.978 -8.203 1.00 0.00 C ATOM 0 H VAL A 98 -3.193 3.167 -7.385 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.965 2.699 -10.283 1.00 0.00 H new ATOM 0 HB VAL A 98 -0.893 4.220 -10.117 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.222 6.265 -10.462 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.925 4.868 -11.312 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.652 5.444 -9.793 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -0.963 5.945 -8.362 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.339 5.111 -7.603 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -0.749 4.316 -7.680 1.00 0.00 H new ATOM 1467 N LYS A 99 -0.422 1.821 -9.838 1.00 0.00 N ATOM 1468 CA LYS A 99 0.658 0.869 -9.599 1.00 0.00 C ATOM 1469 C LYS A 99 1.944 1.589 -9.202 1.00 0.00 C ATOM 1470 O LYS A 99 2.156 2.743 -9.566 1.00 0.00 O ATOM 1471 CB LYS A 99 0.899 0.018 -10.847 1.00 0.00 C ATOM 1472 CG LYS A 99 -0.377 -0.498 -11.489 1.00 0.00 C ATOM 1473 CD LYS A 99 -0.965 -1.660 -10.703 1.00 0.00 C ATOM 1474 CE LYS A 99 -0.411 -2.994 -11.178 1.00 0.00 C ATOM 1475 NZ LYS A 99 -1.493 -3.985 -11.435 1.00 0.00 N ATOM 0 H LYS A 99 -0.335 2.348 -10.707 1.00 0.00 H new ATOM 0 HA LYS A 99 0.360 0.219 -8.776 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.450 0.609 -11.578 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.530 -0.830 -10.582 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -1.107 0.309 -11.549 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -0.169 -0.816 -12.510 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.746 -1.531 -9.643 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -2.050 -1.658 -10.807 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.167 -2.843 -12.090 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.274 -3.390 -10.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -1.161 -4.936 -11.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.328 -3.743 -10.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -1.746 -3.969 -12.444 1.00 0.00 H new ATOM 1489 N PRO A 100 2.824 0.906 -8.444 1.00 0.00 N ATOM 1490 CA PRO A 100 4.095 1.483 -8.002 1.00 0.00 C ATOM 1491 C PRO A 100 4.811 2.183 -9.145 1.00 0.00 C ATOM 1492 O PRO A 100 5.173 3.355 -9.044 1.00 0.00 O ATOM 1493 CB PRO A 100 4.887 0.264 -7.531 1.00 0.00 C ATOM 1494 CG PRO A 100 3.849 -0.704 -7.081 1.00 0.00 C ATOM 1495 CD PRO A 100 2.650 -0.480 -7.966 1.00 0.00 C ATOM 0 HA PRO A 100 3.969 2.241 -7.229 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.494 -0.150 -8.336 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.567 0.522 -6.720 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.210 -1.729 -7.167 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.595 -0.542 -6.033 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.625 -1.189 -8.793 1.00 0.00 H new ATOM 0 HD3 PRO A 100 1.717 -0.600 -7.415 1.00 0.00 H new ATOM 1503 N SER A 101 4.986 1.458 -10.247 1.00 0.00 N ATOM 1504 CA SER A 101 5.629 2.014 -11.427 1.00 0.00 C ATOM 1505 C SER A 101 4.890 3.270 -11.870 1.00 0.00 C ATOM 1506 O SER A 101 5.461 4.145 -12.522 1.00 0.00 O ATOM 1507 CB SER A 101 5.652 0.985 -12.559 1.00 0.00 C ATOM 1508 OG SER A 101 6.920 0.361 -12.657 1.00 0.00 O ATOM 0 H SER A 101 4.691 0.486 -10.344 1.00 0.00 H new ATOM 0 HA SER A 101 6.658 2.274 -11.180 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.885 0.231 -12.384 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.410 1.473 -13.503 1.00 0.00 H new ATOM 0 HG SER A 101 7.002 -0.323 -11.961 1.00 0.00 H new ATOM 1514 N ALA A 102 3.613 3.358 -11.493 1.00 0.00 N ATOM 1515 CA ALA A 102 2.798 4.514 -11.832 1.00 0.00 C ATOM 1516 C ALA A 102 2.875 5.569 -10.732 1.00 0.00 C ATOM 1517 O ALA A 102 2.464 6.714 -10.928 1.00 0.00 O ATOM 1518 CB ALA A 102 1.355 4.092 -12.065 1.00 0.00 C ATOM 0 H ALA A 102 3.127 2.642 -10.954 1.00 0.00 H new ATOM 0 HA ALA A 102 3.186 4.952 -12.752 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.756 4.967 -12.318 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.314 3.375 -12.885 1.00 0.00 H new ATOM 0 HB3 ALA A 102 0.960 3.631 -11.160 1.00 0.00 H new ATOM 1524 N VAL A 103 3.408 5.180 -9.573 1.00 0.00 N ATOM 1525 CA VAL A 103 3.539 6.097 -8.447 1.00 0.00 C ATOM 1526 C VAL A 103 4.977 6.583 -8.302 1.00 0.00 C ATOM 1527 O VAL A 103 5.922 5.809 -8.453 1.00 0.00 O ATOM 1528 CB VAL A 103 3.094 5.437 -7.128 1.00 0.00 C ATOM 1529 CG1 VAL A 103 3.090 6.453 -5.995 1.00 0.00 C ATOM 1530 CG2 VAL A 103 1.722 4.799 -7.285 1.00 0.00 C ATOM 0 H VAL A 103 3.754 4.238 -9.392 1.00 0.00 H new ATOM 0 HA VAL A 103 2.889 6.947 -8.653 1.00 0.00 H new ATOM 0 HB VAL A 103 3.808 4.652 -6.879 1.00 0.00 H new ATOM 0 HG11 VAL A 103 2.773 5.967 -5.072 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.094 6.858 -5.866 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.400 7.262 -6.235 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.425 4.338 -6.343 1.00 0.00 H new ATOM 0 HG22 VAL A 103 0.995 5.563 -7.560 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.762 4.038 -8.065 1.00 0.00 H new ATOM 1540 N THR A 104 5.137 7.870 -8.010 1.00 0.00 N ATOM 1541 CA THR A 104 6.462 8.458 -7.845 1.00 0.00 C ATOM 1542 C THR A 104 6.623 9.058 -6.452 1.00 0.00 C ATOM 1543 O THR A 104 6.042 10.097 -6.142 1.00 0.00 O ATOM 1544 CB THR A 104 6.698 9.535 -8.905 1.00 0.00 C ATOM 1545 OG1 THR A 104 6.097 9.169 -10.134 1.00 0.00 O ATOM 1546 CG2 THR A 104 8.165 9.799 -9.172 1.00 0.00 C ATOM 0 H THR A 104 4.366 8.526 -7.883 1.00 0.00 H new ATOM 0 HA THR A 104 7.201 7.666 -7.967 1.00 0.00 H new ATOM 0 HB THR A 104 6.249 10.442 -8.501 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.257 9.871 -10.799 1.00 0.00 H new ATOM 0 HG21 THR A 104 8.263 10.573 -9.933 1.00 0.00 H new ATOM 0 HG22 THR A 104 8.648 10.131 -8.253 1.00 0.00 H new ATOM 0 HG23 THR A 104 8.642 8.883 -9.522 1.00 0.00 H new ATOM 1554 N VAL A 105 7.417 8.396 -5.616 1.00 0.00 N ATOM 1555 CA VAL A 105 7.656 8.864 -4.257 1.00 0.00 C ATOM 1556 C VAL A 105 8.683 9.992 -4.236 1.00 0.00 C ATOM 1557 O VAL A 105 9.734 9.898 -4.872 1.00 0.00 O ATOM 1558 CB VAL A 105 8.146 7.722 -3.346 1.00 0.00 C ATOM 1559 CG1 VAL A 105 8.210 8.181 -1.899 1.00 0.00 C ATOM 1560 CG2 VAL A 105 7.245 6.504 -3.488 1.00 0.00 C ATOM 0 H VAL A 105 7.906 7.534 -5.857 1.00 0.00 H new ATOM 0 HA VAL A 105 6.703 9.236 -3.880 1.00 0.00 H new ATOM 0 HB VAL A 105 9.152 7.441 -3.656 1.00 0.00 H new ATOM 0 HG11 VAL A 105 8.558 7.360 -1.272 1.00 0.00 H new ATOM 0 HG12 VAL A 105 8.900 9.021 -1.814 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.218 8.492 -1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 105 7.606 5.707 -2.838 1.00 0.00 H new ATOM 0 HG22 VAL A 105 6.226 6.770 -3.206 1.00 0.00 H new ATOM 0 HG23 VAL A 105 7.257 6.161 -4.523 1.00 0.00 H new ATOM 1570 N GLY A 106 8.374 11.055 -3.502 1.00 0.00 N ATOM 1571 CA GLY A 106 9.281 12.185 -3.412 1.00 0.00 C ATOM 1572 C GLY A 106 9.826 12.381 -2.011 1.00 0.00 C ATOM 1573 O GLY A 106 9.810 13.492 -1.481 1.00 0.00 O ATOM 0 H GLY A 106 7.511 11.155 -2.967 1.00 0.00 H new ATOM 0 HA2 GLY A 106 10.110 12.037 -4.104 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.761 13.090 -3.726 1.00 0.00 H new ATOM 1577 N ASP A 107 10.312 11.299 -1.410 1.00 0.00 N ATOM 1578 CA ASP A 107 10.864 11.357 -0.062 1.00 0.00 C ATOM 1579 C ASP A 107 11.477 10.016 0.333 1.00 0.00 C ATOM 1580 O ASP A 107 12.671 9.928 0.619 1.00 0.00 O ATOM 1581 CB ASP A 107 9.777 11.751 0.940 1.00 0.00 C ATOM 1582 CG ASP A 107 9.814 13.228 1.281 1.00 0.00 C ATOM 1583 OD1 ASP A 107 10.891 13.719 1.681 1.00 0.00 O ATOM 1584 OD2 ASP A 107 8.766 13.894 1.148 1.00 0.00 O ATOM 0 H ASP A 107 10.334 10.372 -1.836 1.00 0.00 H new ATOM 0 HA ASP A 107 11.650 12.112 -0.049 1.00 0.00 H new ATOM 0 HB2 ASP A 107 8.799 11.500 0.529 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.898 11.167 1.852 1.00 0.00 H new ATOM 1589 N SER A 108 10.651 8.975 0.348 1.00 0.00 N ATOM 1590 CA SER A 108 11.112 7.639 0.708 1.00 0.00 C ATOM 1591 C SER A 108 11.163 6.732 -0.516 1.00 0.00 C ATOM 1592 O SER A 108 10.725 7.111 -1.602 1.00 0.00 O ATOM 1593 CB SER A 108 10.195 7.031 1.772 1.00 0.00 C ATOM 1594 OG SER A 108 10.564 5.693 2.059 1.00 0.00 O ATOM 0 H SER A 108 9.659 9.031 0.115 1.00 0.00 H new ATOM 0 HA SER A 108 12.120 7.726 1.113 1.00 0.00 H new ATOM 0 HB2 SER A 108 10.243 7.628 2.683 1.00 0.00 H new ATOM 0 HB3 SER A 108 9.162 7.060 1.426 1.00 0.00 H new ATOM 0 HG SER A 108 9.964 5.328 2.743 1.00 0.00 H new ATOM 1600 N GLY A 109 11.699 5.530 -0.333 1.00 0.00 N ATOM 1601 CA GLY A 109 11.797 4.586 -1.431 1.00 0.00 C ATOM 1602 C GLY A 109 13.219 4.426 -1.934 1.00 0.00 C ATOM 1603 O GLY A 109 13.569 4.953 -2.990 1.00 0.00 O ATOM 0 H GLY A 109 12.067 5.193 0.556 1.00 0.00 H new ATOM 0 HA2 GLY A 109 11.418 3.617 -1.107 1.00 0.00 H new ATOM 0 HA3 GLY A 109 11.160 4.919 -2.251 1.00 0.00 H new ATOM 1607 N PRO A 110 14.071 3.696 -1.193 1.00 0.00 N ATOM 1608 CA PRO A 110 15.468 3.474 -1.584 1.00 0.00 C ATOM 1609 C PRO A 110 15.593 2.937 -3.005 1.00 0.00 C ATOM 1610 O PRO A 110 14.930 1.967 -3.374 1.00 0.00 O ATOM 1611 CB PRO A 110 15.960 2.435 -0.573 1.00 0.00 C ATOM 1612 CG PRO A 110 15.083 2.615 0.616 1.00 0.00 C ATOM 1613 CD PRO A 110 13.739 3.029 0.080 1.00 0.00 C ATOM 0 HA PRO A 110 16.045 4.399 -1.578 1.00 0.00 H new ATOM 0 HB2 PRO A 110 15.880 1.425 -0.974 1.00 0.00 H new ATOM 0 HB3 PRO A 110 17.008 2.595 -0.319 1.00 0.00 H new ATOM 0 HG2 PRO A 110 15.007 1.691 1.189 1.00 0.00 H new ATOM 0 HG3 PRO A 110 15.486 3.373 1.287 1.00 0.00 H new ATOM 0 HD2 PRO A 110 13.086 2.170 -0.074 1.00 0.00 H new ATOM 0 HD3 PRO A 110 13.223 3.703 0.764 1.00 0.00 H new ATOM 1621 N SER A 111 16.449 3.572 -3.799 1.00 0.00 N ATOM 1622 CA SER A 111 16.663 3.158 -5.181 1.00 0.00 C ATOM 1623 C SER A 111 18.151 3.019 -5.484 1.00 0.00 C ATOM 1624 O SER A 111 18.997 3.354 -4.654 1.00 0.00 O ATOM 1625 CB SER A 111 16.027 4.165 -6.141 1.00 0.00 C ATOM 1626 OG SER A 111 14.691 4.454 -5.767 1.00 0.00 O ATOM 0 H SER A 111 17.006 4.376 -3.509 1.00 0.00 H new ATOM 0 HA SER A 111 16.191 2.185 -5.320 1.00 0.00 H new ATOM 0 HB2 SER A 111 16.613 5.084 -6.149 1.00 0.00 H new ATOM 0 HB3 SER A 111 16.046 3.767 -7.155 1.00 0.00 H new ATOM 0 HG SER A 111 14.308 5.101 -6.395 1.00 0.00 H new ATOM 1632 N SER A 112 18.463 2.522 -6.676 1.00 0.00 N ATOM 1633 CA SER A 112 19.850 2.338 -7.087 1.00 0.00 C ATOM 1634 C SER A 112 20.573 1.374 -6.152 1.00 0.00 C ATOM 1635 O SER A 112 20.028 0.962 -5.128 1.00 0.00 O ATOM 1636 CB SER A 112 20.578 3.683 -7.116 1.00 0.00 C ATOM 1637 OG SER A 112 21.681 3.648 -8.004 1.00 0.00 O ATOM 0 H SER A 112 17.775 2.240 -7.374 1.00 0.00 H new ATOM 0 HA SER A 112 19.851 1.911 -8.090 1.00 0.00 H new ATOM 0 HB2 SER A 112 19.886 4.468 -7.422 1.00 0.00 H new ATOM 0 HB3 SER A 112 20.923 3.935 -6.113 1.00 0.00 H new ATOM 0 HG SER A 112 22.128 4.520 -8.005 1.00 0.00 H new ATOM 1643 N GLY A 113 21.801 1.018 -6.512 1.00 0.00 N ATOM 1644 CA GLY A 113 22.579 0.106 -5.694 1.00 0.00 C ATOM 1645 C GLY A 113 22.698 -1.271 -6.315 1.00 0.00 C ATOM 1646 O GLY A 113 22.711 -2.265 -5.559 1.00 0.00 O ATOM 1647 OXT GLY A 113 22.781 -1.357 -7.558 1.00 0.00 O ATOM 0 H GLY A 113 22.272 1.345 -7.356 1.00 0.00 H new ATOM 0 HA2 GLY A 113 23.576 0.520 -5.541 1.00 0.00 H new ATOM 0 HA3 GLY A 113 22.116 0.019 -4.711 1.00 0.00 H new TER 1651 GLY A 113