USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 972 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 52 ASN :FLIP amide:sc= -0.597 F(o=-1.2,f=0.31) USER MOD Set 1.2: A 57 SER OG : rot 81:sc= 0.906 USER MOD Set 2.1: A 17 SER OG : rot 180:sc= -0.0135 USER MOD Set 2.2: A 84 ASN : amide:sc= -0.0138 X(o=-0.027,f=0) USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 5 GLN : amide:sc= -1.69 K(o=-1.7,f=-2.5!) USER MOD Single : A 7 SER OG : rot 180:sc= -0.231 USER MOD Single : A 13 GLN : amide:sc= -0.898 X(o=-0.9,f=-0.44) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -48:sc= 0.078 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-2.2!) USER MOD Single : A 34 MET CE :methyl -121:sc= -2.89 (180deg=-9.57!) USER MOD Single : A 39 GLN :FLIP amide:sc= -1.17 F(o=-3.2!,f=-1.2) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -89:sc= 1.41 USER MOD Single : A 50 THR OG1 : rot 114:sc= -0.18! USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 134:sc= 0.0786 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 146:sc= -0.175 (180deg=-1.19!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.43 X(o=-0.43,f=-0.43) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.638 K(o=-0.64,f=-4.2!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -2.9! C(o=-2.9!,f=-3.3!) USER MOD Single : A 83 MET CE :methyl 144:sc= -4.44! (180deg=-5.61!) USER MOD Single : A 85 SER OG : rot 130:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= -0.0403 USER MOD Single : A 91 THR OG1 : rot 84:sc= -0.164 USER MOD Single : A 94 TYR OH : rot 138:sc= 0.685 USER MOD Single : A 95 TYR OH : rot 180:sc= -0.329 USER MOD Single : A 98 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.045) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0.0697 USER MOD Single : A 109 GLN : amide:sc= 0.0706 X(o=0.071,f=0) USER MOD Single : A 111 THR OG1 : rot 30:sc= -1.65 USER MOD Single : A 112 GLN : amide:sc= -0.106 K(o=-0.11,f=-0.65) USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.215 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot -52:sc= 0.307 USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 121 GLN :FLIP amide:sc= -0.146 F(o=-2.9!,f=-0.15) USER MOD Single : A 122 LYS NZ :NH3+ 150:sc= -0.554 (180deg=-1.85!) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 130 ASN : amide:sc= -2.95! C(o=-2.9!,f=-4.3!) USER MOD Single : A 131 HIS : no HD1:sc= -0.299 K(o=-0.3,f=-1.3) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 HIS : no HD1:sc= -0.438 K(o=-0.44,f=-3) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 135 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -11.088 -9.826 9.920 1.00 0.00 N ATOM 2 CA ASP A 1 -11.018 -8.980 8.700 1.00 0.00 C ATOM 3 C ASP A 1 -10.119 -9.615 7.643 1.00 0.00 C ATOM 4 O ASP A 1 -9.876 -10.822 7.666 1.00 0.00 O ATOM 5 CB ASP A 1 -10.483 -7.601 9.092 1.00 0.00 C ATOM 6 CG ASP A 1 -11.578 -6.556 9.166 1.00 0.00 C ATOM 7 OD1 ASP A 1 -11.881 -5.938 8.125 1.00 0.00 O ATOM 8 OD2 ASP A 1 -12.135 -6.356 10.267 1.00 0.00 O ATOM 0 H1 ASP A 1 -11.705 -9.371 10.623 1.00 0.00 H new ATOM 0 H2 ASP A 1 -11.473 -10.760 9.673 1.00 0.00 H new ATOM 0 H3 ASP A 1 -10.134 -9.939 10.319 1.00 0.00 H new ATOM 0 HA ASP A 1 -12.015 -8.886 8.270 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -9.984 -7.669 10.059 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -9.732 -7.286 8.367 1.00 0.00 H new ATOM 15 N VAL A 2 -9.627 -8.796 6.718 1.00 0.00 N ATOM 16 CA VAL A 2 -8.753 -9.283 5.656 1.00 0.00 C ATOM 17 C VAL A 2 -7.285 -9.146 6.055 1.00 0.00 C ATOM 18 O VAL A 2 -6.877 -8.133 6.625 1.00 0.00 O ATOM 19 CB VAL A 2 -9.013 -8.543 4.313 1.00 0.00 C ATOM 20 CG1 VAL A 2 -10.253 -7.667 4.407 1.00 0.00 C ATOM 21 CG2 VAL A 2 -7.812 -7.711 3.884 1.00 0.00 C ATOM 0 H VAL A 2 -9.818 -7.795 6.682 1.00 0.00 H new ATOM 0 HA VAL A 2 -8.982 -10.338 5.509 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.179 -9.306 3.553 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.413 -7.160 3.455 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -11.119 -8.286 4.639 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.116 -6.926 5.194 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -8.034 -7.210 2.942 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -7.594 -6.965 4.649 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -6.947 -8.361 3.754 1.00 0.00 H new ATOM 31 N GLN A 3 -6.499 -10.171 5.747 1.00 0.00 N ATOM 32 CA GLN A 3 -5.076 -10.165 6.060 1.00 0.00 C ATOM 33 C GLN A 3 -4.260 -10.378 4.793 1.00 0.00 C ATOM 34 O GLN A 3 -4.645 -11.156 3.921 1.00 0.00 O ATOM 35 CB GLN A 3 -4.744 -11.243 7.092 1.00 0.00 C ATOM 36 CG GLN A 3 -3.763 -10.774 8.154 1.00 0.00 C ATOM 37 CD GLN A 3 -2.500 -11.612 8.193 1.00 0.00 C ATOM 38 OE1 GLN A 3 -2.549 -12.820 8.418 1.00 0.00 O ATOM 39 NE2 GLN A 3 -1.359 -10.969 7.972 1.00 0.00 N ATOM 0 H GLN A 3 -6.824 -11.018 5.280 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.821 -9.194 6.485 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -5.665 -11.569 7.576 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.328 -12.111 6.580 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.498 -9.734 7.965 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.247 -10.807 9.130 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.366 -9.966 7.789 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -0.476 -11.479 7.985 1.00 0.00 H new ATOM 48 N LEU A 4 -3.142 -9.669 4.685 1.00 0.00 N ATOM 49 CA LEU A 4 -2.290 -9.770 3.506 1.00 0.00 C ATOM 50 C LEU A 4 -0.931 -10.372 3.854 1.00 0.00 C ATOM 51 O LEU A 4 -0.653 -10.670 5.016 1.00 0.00 O ATOM 52 CB LEU A 4 -2.115 -8.390 2.864 1.00 0.00 C ATOM 53 CG LEU A 4 -3.109 -7.320 3.336 1.00 0.00 C ATOM 54 CD1 LEU A 4 -2.767 -5.967 2.737 1.00 0.00 C ATOM 55 CD2 LEU A 4 -4.536 -7.704 2.975 1.00 0.00 C ATOM 0 H LEU A 4 -2.805 -9.020 5.397 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.776 -10.435 2.792 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.103 -8.038 3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.205 -8.496 1.783 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.034 -7.252 4.421 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.484 -5.223 3.085 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.763 -5.675 3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.808 -6.030 1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.220 -6.929 3.321 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.622 -7.808 1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.790 -8.651 3.452 1.00 0.00 H new ATOM 67 N GLN A 5 -0.093 -10.554 2.836 1.00 0.00 N ATOM 68 CA GLN A 5 1.237 -11.126 3.027 1.00 0.00 C ATOM 69 C GLN A 5 2.255 -10.452 2.112 1.00 0.00 C ATOM 70 O GLN A 5 2.110 -10.466 0.890 1.00 0.00 O ATOM 71 CB GLN A 5 1.205 -12.634 2.761 1.00 0.00 C ATOM 72 CG GLN A 5 2.583 -13.275 2.680 1.00 0.00 C ATOM 73 CD GLN A 5 2.625 -14.656 3.306 1.00 0.00 C ATOM 74 OE1 GLN A 5 3.637 -15.059 3.879 1.00 0.00 O ATOM 75 NE2 GLN A 5 1.524 -15.391 3.196 1.00 0.00 N ATOM 0 H GLN A 5 -0.312 -10.313 1.869 1.00 0.00 H new ATOM 0 HA GLN A 5 1.539 -10.953 4.060 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.635 -13.121 3.552 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.674 -12.817 1.827 1.00 0.00 H new ATOM 0 HG2 GLN A 5 2.886 -13.345 1.635 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.308 -12.632 3.179 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.707 -15.017 2.712 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.495 -16.329 3.595 1.00 0.00 H new ATOM 84 N ALA A 6 3.285 -9.861 2.712 1.00 0.00 N ATOM 85 CA ALA A 6 4.326 -9.178 1.954 1.00 0.00 C ATOM 86 C ALA A 6 5.581 -10.037 1.836 1.00 0.00 C ATOM 87 O ALA A 6 6.049 -10.610 2.820 1.00 0.00 O ATOM 88 CB ALA A 6 4.651 -7.840 2.602 1.00 0.00 C ATOM 0 H ALA A 6 3.420 -9.842 3.723 1.00 0.00 H new ATOM 0 HA ALA A 6 3.952 -9.001 0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.430 -7.338 2.028 1.00 0.00 H new ATOM 0 HB2 ALA A 6 3.756 -7.218 2.621 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.000 -8.005 3.621 1.00 0.00 H new ATOM 94 N SER A 7 6.119 -10.123 0.622 1.00 0.00 N ATOM 95 CA SER A 7 7.318 -10.915 0.368 1.00 0.00 C ATOM 96 C SER A 7 8.336 -10.127 -0.453 1.00 0.00 C ATOM 97 O SER A 7 7.997 -9.129 -1.094 1.00 0.00 O ATOM 98 CB SER A 7 6.951 -12.210 -0.359 1.00 0.00 C ATOM 99 OG SER A 7 8.108 -12.871 -0.842 1.00 0.00 O ATOM 0 H SER A 7 5.743 -9.653 -0.202 1.00 0.00 H new ATOM 0 HA SER A 7 7.770 -11.158 1.329 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.408 -12.869 0.318 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.282 -11.987 -1.190 1.00 0.00 H new ATOM 0 HG SER A 7 7.846 -13.696 -1.301 1.00 0.00 H new ATOM 105 N GLY A 8 9.585 -10.583 -0.423 1.00 0.00 N ATOM 106 CA GLY A 8 10.644 -9.917 -1.161 1.00 0.00 C ATOM 107 C GLY A 8 11.821 -9.566 -0.274 1.00 0.00 C ATOM 108 O GLY A 8 12.447 -10.446 0.315 1.00 0.00 O ATOM 0 H GLY A 8 9.883 -11.405 0.102 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.981 -10.562 -1.972 1.00 0.00 H new ATOM 0 HA3 GLY A 8 10.251 -9.009 -1.618 1.00 0.00 H new ATOM 112 N GLY A 9 12.118 -8.274 -0.174 1.00 0.00 N ATOM 113 CA GLY A 9 13.221 -7.827 0.656 1.00 0.00 C ATOM 114 C GLY A 9 14.571 -8.185 0.075 1.00 0.00 C ATOM 115 O GLY A 9 15.023 -9.325 0.192 1.00 0.00 O ATOM 0 H GLY A 9 11.614 -7.528 -0.654 1.00 0.00 H new ATOM 0 HA2 GLY A 9 13.160 -6.746 0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 9 13.127 -8.270 1.647 1.00 0.00 H new ATOM 119 N GLY A 10 15.216 -7.210 -0.554 1.00 0.00 N ATOM 120 CA GLY A 10 16.517 -7.448 -1.150 1.00 0.00 C ATOM 121 C GLY A 10 17.614 -6.603 -0.529 1.00 0.00 C ATOM 122 O GLY A 10 17.381 -5.874 0.438 1.00 0.00 O ATOM 0 H GLY A 10 14.862 -6.260 -0.662 1.00 0.00 H new ATOM 0 HA2 GLY A 10 16.773 -8.502 -1.043 1.00 0.00 H new ATOM 0 HA3 GLY A 10 16.465 -7.239 -2.219 1.00 0.00 H new ATOM 126 N LEU A 11 18.813 -6.707 -1.094 1.00 0.00 N ATOM 127 CA LEU A 11 19.964 -5.955 -0.611 1.00 0.00 C ATOM 128 C LEU A 11 20.502 -5.042 -1.706 1.00 0.00 C ATOM 129 O LEU A 11 21.104 -5.511 -2.673 1.00 0.00 O ATOM 130 CB LEU A 11 21.067 -6.914 -0.152 1.00 0.00 C ATOM 131 CG LEU A 11 21.597 -6.683 1.267 1.00 0.00 C ATOM 132 CD1 LEU A 11 21.918 -5.213 1.495 1.00 0.00 C ATOM 133 CD2 LEU A 11 20.594 -7.180 2.296 1.00 0.00 C ATOM 0 H LEU A 11 19.012 -7.310 -1.892 1.00 0.00 H new ATOM 0 HA LEU A 11 19.645 -5.344 0.234 1.00 0.00 H new ATOM 0 HB2 LEU A 11 20.687 -7.934 -0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 11 21.902 -6.839 -0.849 1.00 0.00 H new ATOM 0 HG LEU A 11 22.520 -7.250 1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 11 22.292 -5.075 2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 11 22.677 -4.891 0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 11 21.015 -4.618 1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 11 20.986 -7.008 3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 11 19.654 -6.642 2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 11 20.422 -8.247 2.151 1.00 0.00 H new ATOM 145 N VAL A 12 20.281 -3.740 -1.557 1.00 0.00 N ATOM 146 CA VAL A 12 20.749 -2.776 -2.549 1.00 0.00 C ATOM 147 C VAL A 12 21.651 -1.724 -1.927 1.00 0.00 C ATOM 148 O VAL A 12 21.680 -1.548 -0.711 1.00 0.00 O ATOM 149 CB VAL A 12 19.575 -2.064 -3.253 1.00 0.00 C ATOM 150 CG1 VAL A 12 18.492 -3.059 -3.632 1.00 0.00 C ATOM 151 CG2 VAL A 12 19.009 -0.956 -2.376 1.00 0.00 C ATOM 0 H VAL A 12 19.785 -3.329 -0.766 1.00 0.00 H new ATOM 0 HA VAL A 12 21.315 -3.349 -3.283 1.00 0.00 H new ATOM 0 HB VAL A 12 19.954 -1.609 -4.168 1.00 0.00 H new ATOM 0 HG11 VAL A 12 17.674 -2.536 -4.127 1.00 0.00 H new ATOM 0 HG12 VAL A 12 18.906 -3.807 -4.308 1.00 0.00 H new ATOM 0 HG13 VAL A 12 18.118 -3.549 -2.733 1.00 0.00 H new ATOM 0 HG21 VAL A 12 18.183 -0.469 -2.893 1.00 0.00 H new ATOM 0 HG22 VAL A 12 18.650 -1.381 -1.439 1.00 0.00 H new ATOM 0 HG23 VAL A 12 19.789 -0.223 -2.167 1.00 0.00 H new ATOM 161 N GLN A 13 22.371 -1.020 -2.784 1.00 0.00 N ATOM 162 CA GLN A 13 23.270 0.038 -2.345 1.00 0.00 C ATOM 163 C GLN A 13 22.688 1.400 -2.711 1.00 0.00 C ATOM 164 O GLN A 13 21.874 1.497 -3.627 1.00 0.00 O ATOM 165 CB GLN A 13 24.652 -0.135 -2.982 1.00 0.00 C ATOM 166 CG GLN A 13 24.712 0.287 -4.443 1.00 0.00 C ATOM 167 CD GLN A 13 24.230 -0.797 -5.387 1.00 0.00 C ATOM 168 OE1 GLN A 13 23.411 -0.547 -6.272 1.00 0.00 O ATOM 169 NE2 GLN A 13 24.736 -2.011 -5.203 1.00 0.00 N ATOM 0 H GLN A 13 22.351 -1.162 -3.794 1.00 0.00 H new ATOM 0 HA GLN A 13 23.379 -0.022 -1.262 1.00 0.00 H new ATOM 0 HB2 GLN A 13 25.379 0.447 -2.415 1.00 0.00 H new ATOM 0 HB3 GLN A 13 24.950 -1.180 -2.903 1.00 0.00 H new ATOM 0 HG2 GLN A 13 24.105 1.181 -4.584 1.00 0.00 H new ATOM 0 HG3 GLN A 13 25.738 0.555 -4.697 1.00 0.00 H new ATOM 0 HE21 GLN A 13 25.412 -2.174 -4.457 1.00 0.00 H new ATOM 0 HE22 GLN A 13 24.448 -2.780 -5.808 1.00 0.00 H new ATOM 178 N PRO A 14 23.086 2.472 -2.002 1.00 0.00 N ATOM 179 CA PRO A 14 22.582 3.823 -2.275 1.00 0.00 C ATOM 180 C PRO A 14 22.745 4.216 -3.743 1.00 0.00 C ATOM 181 O PRO A 14 23.774 4.766 -4.137 1.00 0.00 O ATOM 182 CB PRO A 14 23.450 4.712 -1.379 1.00 0.00 C ATOM 183 CG PRO A 14 23.879 3.818 -0.268 1.00 0.00 C ATOM 184 CD PRO A 14 24.047 2.457 -0.881 1.00 0.00 C ATOM 0 HA PRO A 14 21.514 3.910 -2.076 1.00 0.00 H new ATOM 0 HB2 PRO A 14 24.307 5.107 -1.924 1.00 0.00 H new ATOM 0 HB3 PRO A 14 22.888 5.568 -1.005 1.00 0.00 H new ATOM 0 HG2 PRO A 14 24.812 4.165 0.175 1.00 0.00 H new ATOM 0 HG3 PRO A 14 23.135 3.799 0.529 1.00 0.00 H new ATOM 0 HD2 PRO A 14 25.068 2.294 -1.227 1.00 0.00 H new ATOM 0 HD3 PRO A 14 23.822 1.664 -0.168 1.00 0.00 H new ATOM 192 N GLY A 15 21.722 3.929 -4.545 1.00 0.00 N ATOM 193 CA GLY A 15 21.769 4.257 -5.960 1.00 0.00 C ATOM 194 C GLY A 15 21.243 3.136 -6.839 1.00 0.00 C ATOM 195 O GLY A 15 21.074 3.313 -8.046 1.00 0.00 O ATOM 0 H GLY A 15 20.861 3.475 -4.240 1.00 0.00 H new ATOM 0 HA2 GLY A 15 21.184 5.159 -6.139 1.00 0.00 H new ATOM 0 HA3 GLY A 15 22.797 4.483 -6.243 1.00 0.00 H new ATOM 199 N GLY A 16 20.984 1.982 -6.233 1.00 0.00 N ATOM 200 CA GLY A 16 20.477 0.844 -6.975 1.00 0.00 C ATOM 201 C GLY A 16 18.973 0.887 -7.150 1.00 0.00 C ATOM 202 O GLY A 16 18.417 1.911 -7.548 1.00 0.00 O ATOM 0 H GLY A 16 21.117 1.815 -5.236 1.00 0.00 H new ATOM 0 HA2 GLY A 16 20.953 0.813 -7.955 1.00 0.00 H new ATOM 0 HA3 GLY A 16 20.753 -0.075 -6.458 1.00 0.00 H new ATOM 206 N SER A 17 18.314 -0.228 -6.848 1.00 0.00 N ATOM 207 CA SER A 17 16.863 -0.323 -6.970 1.00 0.00 C ATOM 208 C SER A 17 16.362 -1.664 -6.445 1.00 0.00 C ATOM 209 O SER A 17 17.066 -2.671 -6.514 1.00 0.00 O ATOM 210 CB SER A 17 16.436 -0.145 -8.429 1.00 0.00 C ATOM 211 OG SER A 17 15.425 0.841 -8.548 1.00 0.00 O ATOM 0 H SER A 17 18.764 -1.081 -6.516 1.00 0.00 H new ATOM 0 HA SER A 17 16.422 0.473 -6.371 1.00 0.00 H new ATOM 0 HB2 SER A 17 17.299 0.140 -9.031 1.00 0.00 H new ATOM 0 HB3 SER A 17 16.071 -1.094 -8.823 1.00 0.00 H new ATOM 0 HG SER A 17 15.171 0.937 -9.490 1.00 0.00 H new ATOM 217 N LEU A 18 15.141 -1.670 -5.918 1.00 0.00 N ATOM 218 CA LEU A 18 14.548 -2.890 -5.380 1.00 0.00 C ATOM 219 C LEU A 18 13.089 -3.025 -5.805 1.00 0.00 C ATOM 220 O LEU A 18 12.393 -2.029 -5.993 1.00 0.00 O ATOM 221 CB LEU A 18 14.642 -2.897 -3.851 1.00 0.00 C ATOM 222 CG LEU A 18 15.077 -4.225 -3.227 1.00 0.00 C ATOM 223 CD1 LEU A 18 15.504 -4.018 -1.784 1.00 0.00 C ATOM 224 CD2 LEU A 18 13.953 -5.248 -3.306 1.00 0.00 C ATOM 0 H LEU A 18 14.544 -0.846 -5.852 1.00 0.00 H new ATOM 0 HA LEU A 18 15.105 -3.737 -5.780 1.00 0.00 H new ATOM 0 HB2 LEU A 18 15.345 -2.123 -3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 18 13.669 -2.624 -3.443 1.00 0.00 H new ATOM 0 HG LEU A 18 15.929 -4.606 -3.790 1.00 0.00 H new ATOM 0 HD11 LEU A 18 15.810 -4.972 -1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 18 16.340 -3.319 -1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 18 14.669 -3.614 -1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.282 -6.185 -2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.082 -4.874 -2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 18 13.689 -5.418 -4.350 1.00 0.00 H new ATOM 236 N ARG A 19 12.631 -4.263 -5.945 1.00 0.00 N ATOM 237 CA ARG A 19 11.251 -4.530 -6.334 1.00 0.00 C ATOM 238 C ARG A 19 10.607 -5.514 -5.365 1.00 0.00 C ATOM 239 O ARG A 19 10.888 -6.712 -5.407 1.00 0.00 O ATOM 240 CB ARG A 19 11.189 -5.084 -7.758 1.00 0.00 C ATOM 241 CG ARG A 19 9.774 -5.206 -8.301 1.00 0.00 C ATOM 242 CD ARG A 19 9.767 -5.724 -9.731 1.00 0.00 C ATOM 243 NE ARG A 19 10.221 -4.713 -10.683 1.00 0.00 N ATOM 244 CZ ARG A 19 9.485 -4.271 -11.699 1.00 0.00 C ATOM 245 NH1 ARG A 19 8.263 -4.748 -11.894 1.00 0.00 N ATOM 246 NH2 ARG A 19 9.971 -3.351 -12.521 1.00 0.00 N ATOM 0 H ARG A 19 13.196 -5.099 -5.795 1.00 0.00 H new ATOM 0 HA ARG A 19 10.700 -3.590 -6.301 1.00 0.00 H new ATOM 0 HB2 ARG A 19 11.768 -4.436 -8.417 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.663 -6.065 -7.778 1.00 0.00 H new ATOM 0 HG2 ARG A 19 9.197 -5.879 -7.667 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.284 -4.233 -8.263 1.00 0.00 H new ATOM 0 HD2 ARG A 19 10.409 -6.602 -9.801 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.759 -6.044 -9.995 1.00 0.00 H new ATOM 0 HE ARG A 19 11.156 -4.324 -10.562 1.00 0.00 H new ATOM 0 HH11 ARG A 19 7.885 -5.456 -11.264 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.701 -4.407 -12.674 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.910 -2.981 -12.375 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.406 -3.013 -13.300 1.00 0.00 H new ATOM 260 N VAL A 20 9.745 -5.004 -4.492 1.00 0.00 N ATOM 261 CA VAL A 20 9.070 -5.847 -3.516 1.00 0.00 C ATOM 262 C VAL A 20 7.609 -6.060 -3.899 1.00 0.00 C ATOM 263 O VAL A 20 7.059 -5.315 -4.711 1.00 0.00 O ATOM 264 CB VAL A 20 9.156 -5.248 -2.098 1.00 0.00 C ATOM 265 CG1 VAL A 20 10.601 -4.928 -1.745 1.00 0.00 C ATOM 266 CG2 VAL A 20 8.285 -4.006 -1.982 1.00 0.00 C ATOM 0 H VAL A 20 9.499 -4.015 -4.441 1.00 0.00 H new ATOM 0 HA VAL A 20 9.580 -6.810 -3.514 1.00 0.00 H new ATOM 0 HB VAL A 20 8.783 -5.988 -1.389 1.00 0.00 H new ATOM 0 HG11 VAL A 20 10.645 -4.506 -0.741 1.00 0.00 H new ATOM 0 HG12 VAL A 20 11.195 -5.841 -1.781 1.00 0.00 H new ATOM 0 HG13 VAL A 20 10.999 -4.207 -2.459 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.362 -3.601 -0.973 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.621 -3.258 -2.700 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.248 -4.268 -2.190 1.00 0.00 H new ATOM 276 N SER A 21 6.988 -7.085 -3.323 1.00 0.00 N ATOM 277 CA SER A 21 5.595 -7.392 -3.624 1.00 0.00 C ATOM 278 C SER A 21 4.835 -7.806 -2.370 1.00 0.00 C ATOM 279 O SER A 21 5.437 -8.111 -1.340 1.00 0.00 O ATOM 280 CB SER A 21 5.514 -8.506 -4.668 1.00 0.00 C ATOM 281 OG SER A 21 5.945 -9.743 -4.128 1.00 0.00 O ATOM 0 H SER A 21 7.425 -7.714 -2.649 1.00 0.00 H new ATOM 0 HA SER A 21 5.133 -6.488 -4.021 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.489 -8.599 -5.026 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.130 -8.247 -5.529 1.00 0.00 H new ATOM 0 HG SER A 21 5.882 -10.439 -4.815 1.00 0.00 H new ATOM 287 N CYS A 22 3.509 -7.815 -2.467 1.00 0.00 N ATOM 288 CA CYS A 22 2.664 -8.194 -1.343 1.00 0.00 C ATOM 289 C CYS A 22 1.316 -8.719 -1.819 1.00 0.00 C ATOM 290 O CYS A 22 0.453 -7.951 -2.242 1.00 0.00 O ATOM 291 CB CYS A 22 2.454 -7.003 -0.410 1.00 0.00 C ATOM 292 SG CYS A 22 1.608 -7.423 1.146 1.00 0.00 S ATOM 0 H CYS A 22 2.998 -7.564 -3.313 1.00 0.00 H new ATOM 0 HA CYS A 22 3.171 -8.991 -0.800 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.423 -6.561 -0.177 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.874 -6.242 -0.933 1.00 0.00 H new ATOM 297 N ALA A 23 1.140 -10.033 -1.742 1.00 0.00 N ATOM 298 CA ALA A 23 -0.106 -10.659 -2.162 1.00 0.00 C ATOM 299 C ALA A 23 -1.135 -10.627 -1.040 1.00 0.00 C ATOM 300 O ALA A 23 -1.017 -11.357 -0.055 1.00 0.00 O ATOM 301 CB ALA A 23 0.143 -12.089 -2.616 1.00 0.00 C ATOM 0 H ALA A 23 1.844 -10.684 -1.393 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.504 -10.092 -3.004 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.799 -12.541 -2.926 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.839 -12.088 -3.455 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.568 -12.663 -1.793 1.00 0.00 H new ATOM 307 N ALA A 24 -2.143 -9.775 -1.194 1.00 0.00 N ATOM 308 CA ALA A 24 -3.192 -9.642 -0.193 1.00 0.00 C ATOM 309 C ALA A 24 -4.298 -10.671 -0.409 1.00 0.00 C ATOM 310 O ALA A 24 -4.605 -11.037 -1.543 1.00 0.00 O ATOM 311 CB ALA A 24 -3.764 -8.233 -0.218 1.00 0.00 C ATOM 0 H ALA A 24 -2.255 -9.166 -2.004 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.751 -9.828 0.786 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.548 -8.145 0.535 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.972 -7.515 -0.003 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.183 -8.028 -1.203 1.00 0.00 H new ATOM 317 N SER A 25 -4.890 -11.134 0.688 1.00 0.00 N ATOM 318 CA SER A 25 -5.961 -12.122 0.620 1.00 0.00 C ATOM 319 C SER A 25 -7.226 -11.601 1.294 1.00 0.00 C ATOM 320 O SER A 25 -7.216 -11.262 2.477 1.00 0.00 O ATOM 321 CB SER A 25 -5.518 -13.430 1.279 1.00 0.00 C ATOM 322 OG SER A 25 -6.312 -14.519 0.838 1.00 0.00 O ATOM 0 H SER A 25 -4.646 -10.841 1.634 1.00 0.00 H new ATOM 0 HA SER A 25 -6.183 -12.310 -0.431 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.471 -13.622 1.046 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.591 -13.338 2.363 1.00 0.00 H new ATOM 0 HG SER A 25 -6.007 -15.343 1.272 1.00 0.00 H new ATOM 328 N GLY A 26 -8.315 -11.543 0.533 1.00 0.00 N ATOM 329 CA GLY A 26 -9.573 -11.064 1.076 1.00 0.00 C ATOM 330 C GLY A 26 -10.411 -10.330 0.046 1.00 0.00 C ATOM 331 O GLY A 26 -11.604 -10.600 -0.098 1.00 0.00 O ATOM 0 H GLY A 26 -8.349 -11.819 -0.448 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.141 -11.908 1.466 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.372 -10.399 1.916 1.00 0.00 H new ATOM 335 N PHE A 27 -9.787 -9.399 -0.670 1.00 0.00 N ATOM 336 CA PHE A 27 -10.485 -8.625 -1.690 1.00 0.00 C ATOM 337 C PHE A 27 -9.681 -8.580 -2.988 1.00 0.00 C ATOM 338 O PHE A 27 -8.674 -9.274 -3.128 1.00 0.00 O ATOM 339 CB PHE A 27 -10.758 -7.205 -1.180 1.00 0.00 C ATOM 340 CG PHE A 27 -9.521 -6.364 -1.025 1.00 0.00 C ATOM 341 CD1 PHE A 27 -9.051 -5.605 -2.082 1.00 0.00 C ATOM 342 CD2 PHE A 27 -8.832 -6.330 0.178 1.00 0.00 C ATOM 343 CE1 PHE A 27 -7.918 -4.830 -1.949 1.00 0.00 C ATOM 344 CE2 PHE A 27 -7.696 -5.554 0.318 1.00 0.00 C ATOM 345 CZ PHE A 27 -7.240 -4.803 -0.747 1.00 0.00 C ATOM 0 H PHE A 27 -8.801 -9.163 -0.562 1.00 0.00 H new ATOM 0 HA PHE A 27 -11.436 -9.114 -1.900 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -11.440 -6.707 -1.869 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -11.266 -7.267 -0.218 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -9.579 -5.620 -3.024 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -9.186 -6.915 1.014 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.562 -4.245 -2.784 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.166 -5.535 1.259 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.354 -4.195 -0.640 1.00 0.00 H new ATOM 355 N THR A 28 -10.130 -7.758 -3.932 1.00 0.00 N ATOM 356 CA THR A 28 -9.452 -7.623 -5.217 1.00 0.00 C ATOM 357 C THR A 28 -8.963 -6.195 -5.441 1.00 0.00 C ATOM 358 O THR A 28 -9.636 -5.232 -5.073 1.00 0.00 O ATOM 359 CB THR A 28 -10.371 -8.032 -6.384 1.00 0.00 C ATOM 360 OG1 THR A 28 -11.032 -9.266 -6.078 1.00 0.00 O ATOM 361 CG2 THR A 28 -9.580 -8.183 -7.674 1.00 0.00 C ATOM 0 H THR A 28 -10.961 -7.175 -3.831 1.00 0.00 H new ATOM 0 HA THR A 28 -8.593 -8.293 -5.190 1.00 0.00 H new ATOM 0 HB THR A 28 -11.113 -7.245 -6.523 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.616 -9.518 -6.824 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.253 -8.472 -8.482 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.103 -7.235 -7.921 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.817 -8.951 -7.545 1.00 0.00 H new ATOM 369 N PHE A 29 -7.785 -6.068 -6.046 1.00 0.00 N ATOM 370 CA PHE A 29 -7.197 -4.761 -6.318 1.00 0.00 C ATOM 371 C PHE A 29 -7.878 -4.083 -7.502 1.00 0.00 C ATOM 372 O PHE A 29 -8.915 -4.541 -7.982 1.00 0.00 O ATOM 373 CB PHE A 29 -5.698 -4.903 -6.595 1.00 0.00 C ATOM 374 CG PHE A 29 -4.858 -5.018 -5.353 1.00 0.00 C ATOM 375 CD1 PHE A 29 -5.157 -5.958 -4.379 1.00 0.00 C ATOM 376 CD2 PHE A 29 -3.767 -4.185 -5.162 1.00 0.00 C ATOM 377 CE1 PHE A 29 -4.383 -6.065 -3.239 1.00 0.00 C ATOM 378 CE2 PHE A 29 -2.991 -4.286 -4.023 1.00 0.00 C ATOM 379 CZ PHE A 29 -3.299 -5.227 -3.061 1.00 0.00 C ATOM 0 H PHE A 29 -7.218 -6.857 -6.358 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.345 -4.138 -5.436 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.535 -5.784 -7.215 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.361 -4.041 -7.171 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.004 -6.614 -4.513 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.520 -3.448 -5.912 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.625 -6.803 -2.488 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.145 -3.629 -3.886 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.693 -5.308 -2.170 1.00 0.00 H new ATOM 389 N SER A 30 -7.282 -2.986 -7.964 1.00 0.00 N ATOM 390 CA SER A 30 -7.816 -2.228 -9.093 1.00 0.00 C ATOM 391 C SER A 30 -9.245 -1.766 -8.817 1.00 0.00 C ATOM 392 O SER A 30 -9.984 -1.415 -9.738 1.00 0.00 O ATOM 393 CB SER A 30 -7.775 -3.071 -10.369 1.00 0.00 C ATOM 394 OG SER A 30 -7.806 -2.251 -11.525 1.00 0.00 O ATOM 0 H SER A 30 -6.423 -2.600 -7.571 1.00 0.00 H new ATOM 0 HA SER A 30 -7.191 -1.346 -9.230 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.872 -3.681 -10.376 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.622 -3.756 -10.383 1.00 0.00 H new ATOM 0 HG SER A 30 -8.522 -1.588 -11.436 1.00 0.00 H new ATOM 400 N SER A 31 -9.625 -1.767 -7.545 1.00 0.00 N ATOM 401 CA SER A 31 -10.962 -1.348 -7.142 1.00 0.00 C ATOM 402 C SER A 31 -10.944 -0.779 -5.729 1.00 0.00 C ATOM 403 O SER A 31 -11.825 -0.010 -5.344 1.00 0.00 O ATOM 404 CB SER A 31 -11.935 -2.527 -7.221 1.00 0.00 C ATOM 405 OG SER A 31 -13.224 -2.158 -6.760 1.00 0.00 O ATOM 0 H SER A 31 -9.024 -2.054 -6.773 1.00 0.00 H new ATOM 0 HA SER A 31 -11.296 -0.568 -7.826 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.001 -2.880 -8.250 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.556 -3.356 -6.624 1.00 0.00 H new ATOM 0 HG SER A 31 -13.827 -2.928 -6.822 1.00 0.00 H new ATOM 411 N TYR A 32 -9.928 -1.162 -4.962 1.00 0.00 N ATOM 412 CA TYR A 32 -9.782 -0.693 -3.590 1.00 0.00 C ATOM 413 C TYR A 32 -8.638 0.308 -3.481 1.00 0.00 C ATOM 414 O TYR A 32 -7.987 0.631 -4.474 1.00 0.00 O ATOM 415 CB TYR A 32 -9.534 -1.873 -2.651 1.00 0.00 C ATOM 416 CG TYR A 32 -10.802 -2.501 -2.118 1.00 0.00 C ATOM 417 CD1 TYR A 32 -11.583 -3.321 -2.923 1.00 0.00 C ATOM 418 CD2 TYR A 32 -11.220 -2.274 -0.812 1.00 0.00 C ATOM 419 CE1 TYR A 32 -12.743 -3.898 -2.443 1.00 0.00 C ATOM 420 CE2 TYR A 32 -12.379 -2.848 -0.324 1.00 0.00 C ATOM 421 CZ TYR A 32 -13.136 -3.658 -1.144 1.00 0.00 C ATOM 422 OH TYR A 32 -14.292 -4.231 -0.664 1.00 0.00 O ATOM 0 H TYR A 32 -9.192 -1.798 -5.269 1.00 0.00 H new ATOM 0 HA TYR A 32 -10.707 -0.195 -3.299 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.957 -2.632 -3.180 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.925 -1.537 -1.812 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -11.278 -3.511 -3.942 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.630 -1.639 -0.168 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -13.338 -4.533 -3.082 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -12.690 -2.663 0.694 1.00 0.00 H new ATOM 0 HH TYR A 32 -14.427 -3.963 0.269 1.00 0.00 H new ATOM 432 N HIS A 33 -8.398 0.791 -2.268 1.00 0.00 N ATOM 433 CA HIS A 33 -7.331 1.753 -2.027 1.00 0.00 C ATOM 434 C HIS A 33 -6.292 1.175 -1.073 1.00 0.00 C ATOM 435 O HIS A 33 -6.517 1.111 0.133 1.00 0.00 O ATOM 436 CB HIS A 33 -7.898 3.050 -1.447 1.00 0.00 C ATOM 437 CG HIS A 33 -9.244 3.419 -1.988 1.00 0.00 C ATOM 438 ND1 HIS A 33 -9.421 4.309 -3.027 1.00 0.00 N ATOM 439 CD2 HIS A 33 -10.486 3.018 -1.625 1.00 0.00 C ATOM 440 CE1 HIS A 33 -10.712 4.440 -3.277 1.00 0.00 C ATOM 441 NE2 HIS A 33 -11.378 3.666 -2.442 1.00 0.00 N ATOM 0 H HIS A 33 -8.928 0.532 -1.436 1.00 0.00 H new ATOM 0 HA HIS A 33 -6.852 1.971 -2.981 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -7.967 2.952 -0.364 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.200 3.863 -1.650 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -10.729 2.318 -0.839 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -11.148 5.073 -4.036 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -12.392 3.565 -2.409 1.00 0.00 H new ATOM 450 N MET A 34 -5.154 0.759 -1.618 1.00 0.00 N ATOM 451 CA MET A 34 -4.086 0.193 -0.804 1.00 0.00 C ATOM 452 C MET A 34 -2.911 1.155 -0.710 1.00 0.00 C ATOM 453 O MET A 34 -2.942 2.248 -1.280 1.00 0.00 O ATOM 454 CB MET A 34 -3.618 -1.145 -1.375 1.00 0.00 C ATOM 455 CG MET A 34 -4.635 -2.264 -1.217 1.00 0.00 C ATOM 456 SD MET A 34 -4.380 -3.225 0.288 1.00 0.00 S ATOM 457 CE MET A 34 -2.725 -3.851 0.014 1.00 0.00 C ATOM 0 H MET A 34 -4.948 0.803 -2.616 1.00 0.00 H new ATOM 0 HA MET A 34 -4.484 0.026 0.197 1.00 0.00 H new ATOM 0 HB2 MET A 34 -3.391 -1.019 -2.434 1.00 0.00 H new ATOM 0 HB3 MET A 34 -2.690 -1.436 -0.882 1.00 0.00 H new ATOM 0 HG2 MET A 34 -5.639 -1.839 -1.207 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.578 -2.926 -2.081 1.00 0.00 H new ATOM 0 HE1 MET A 34 -2.742 -4.941 0.026 1.00 0.00 H new ATOM 0 HE2 MET A 34 -2.360 -3.504 -0.953 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.064 -3.489 0.802 1.00 0.00 H new ATOM 467 N ALA A 35 -1.876 0.746 0.016 1.00 0.00 N ATOM 468 CA ALA A 35 -0.697 1.581 0.189 1.00 0.00 C ATOM 469 C ALA A 35 0.493 0.779 0.699 1.00 0.00 C ATOM 470 O ALA A 35 0.333 -0.294 1.283 1.00 0.00 O ATOM 471 CB ALA A 35 -1.008 2.715 1.152 1.00 0.00 C ATOM 0 H ALA A 35 -1.831 -0.155 0.492 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.429 1.988 -0.786 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.123 3.338 1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.822 3.319 0.752 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.303 2.302 2.117 1.00 0.00 H new ATOM 477 N TRP A 36 1.688 1.324 0.492 1.00 0.00 N ATOM 478 CA TRP A 36 2.915 0.685 0.945 1.00 0.00 C ATOM 479 C TRP A 36 3.438 1.405 2.179 1.00 0.00 C ATOM 480 O TRP A 36 3.375 2.636 2.260 1.00 0.00 O ATOM 481 CB TRP A 36 3.971 0.693 -0.161 1.00 0.00 C ATOM 482 CG TRP A 36 4.023 -0.584 -0.947 1.00 0.00 C ATOM 483 CD1 TRP A 36 3.614 -0.766 -2.236 1.00 0.00 C ATOM 484 CD2 TRP A 36 4.511 -1.855 -0.498 1.00 0.00 C ATOM 485 NE1 TRP A 36 3.820 -2.068 -2.619 1.00 0.00 N ATOM 486 CE2 TRP A 36 4.368 -2.758 -1.570 1.00 0.00 C ATOM 487 CE3 TRP A 36 5.057 -2.320 0.702 1.00 0.00 C ATOM 488 CZ2 TRP A 36 4.749 -4.094 -1.476 1.00 0.00 C ATOM 489 CZ3 TRP A 36 5.434 -3.649 0.794 1.00 0.00 C ATOM 490 CH2 TRP A 36 5.279 -4.521 -0.290 1.00 0.00 C ATOM 0 H TRP A 36 1.831 2.212 0.010 1.00 0.00 H new ATOM 0 HA TRP A 36 2.698 -0.353 1.198 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.768 1.521 -0.840 1.00 0.00 H new ATOM 0 HB3 TRP A 36 4.949 0.878 0.283 1.00 0.00 H new ATOM 0 HD1 TRP A 36 3.190 0.003 -2.864 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.601 -2.458 -3.536 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.183 -1.654 1.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 4.630 -4.769 -2.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 5.855 -4.019 1.717 1.00 0.00 H new ATOM 0 HH2 TRP A 36 5.584 -5.552 -0.188 1.00 0.00 H new ATOM 501 N VAL A 37 3.935 0.626 3.141 1.00 0.00 N ATOM 502 CA VAL A 37 4.456 1.172 4.391 1.00 0.00 C ATOM 503 C VAL A 37 5.873 0.663 4.670 1.00 0.00 C ATOM 504 O VAL A 37 6.337 -0.284 4.033 1.00 0.00 O ATOM 505 CB VAL A 37 3.531 0.822 5.574 1.00 0.00 C ATOM 506 CG1 VAL A 37 2.285 1.695 5.551 1.00 0.00 C ATOM 507 CG2 VAL A 37 3.157 -0.652 5.548 1.00 0.00 C ATOM 0 H VAL A 37 3.987 -0.391 3.076 1.00 0.00 H new ATOM 0 HA VAL A 37 4.492 2.256 4.283 1.00 0.00 H new ATOM 0 HB VAL A 37 4.070 1.017 6.501 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.643 1.435 6.393 1.00 0.00 H new ATOM 0 HG12 VAL A 37 2.574 2.743 5.625 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.744 1.533 4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.504 -0.877 6.391 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.638 -0.879 4.617 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.060 -1.258 5.617 1.00 0.00 H new ATOM 517 N ARG A 38 6.562 1.314 5.609 1.00 0.00 N ATOM 518 CA ARG A 38 7.936 0.948 5.956 1.00 0.00 C ATOM 519 C ARG A 38 8.188 1.105 7.460 1.00 0.00 C ATOM 520 O ARG A 38 7.577 1.954 8.106 1.00 0.00 O ATOM 521 CB ARG A 38 8.897 1.832 5.158 1.00 0.00 C ATOM 522 CG ARG A 38 10.287 1.941 5.751 1.00 0.00 C ATOM 523 CD ARG A 38 11.032 3.140 5.193 1.00 0.00 C ATOM 524 NE ARG A 38 10.825 4.337 6.005 1.00 0.00 N ATOM 525 CZ ARG A 38 11.176 5.561 5.620 1.00 0.00 C ATOM 526 NH1 ARG A 38 11.742 5.752 4.437 1.00 0.00 N ATOM 527 NH2 ARG A 38 10.957 6.596 6.420 1.00 0.00 N ATOM 0 H ARG A 38 6.190 2.099 6.144 1.00 0.00 H new ATOM 0 HA ARG A 38 8.101 -0.100 5.705 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.977 1.438 4.145 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.470 2.832 5.078 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.216 2.026 6.835 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.848 1.031 5.539 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.097 2.915 5.144 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.699 3.331 4.173 1.00 0.00 H new ATOM 0 HE ARG A 38 10.386 4.228 6.919 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.910 4.959 3.818 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.010 6.692 4.146 1.00 0.00 H new ATOM 0 HH21 ARG A 38 10.520 6.453 7.330 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.226 7.535 6.125 1.00 0.00 H new ATOM 541 N GLN A 39 9.079 0.275 8.019 1.00 0.00 N ATOM 542 CA GLN A 39 9.374 0.339 9.453 1.00 0.00 C ATOM 543 C GLN A 39 10.832 -0.007 9.790 1.00 0.00 C ATOM 544 O GLN A 39 11.284 -1.126 9.549 1.00 0.00 O ATOM 545 CB GLN A 39 8.443 -0.607 10.212 1.00 0.00 C ATOM 546 CG GLN A 39 8.721 -0.671 11.706 1.00 0.00 C ATOM 547 CD GLN A 39 7.674 -1.467 12.462 1.00 0.00 C ATOM 548 OE1 GLN A 39 6.406 -1.199 12.173 1.00 0.00 O flip ATOM 549 NE2 GLN A 39 8.002 -2.311 13.295 1.00 0.00 N flip ATOM 0 H GLN A 39 9.600 -0.438 7.508 1.00 0.00 H new ATOM 0 HA GLN A 39 9.212 1.373 9.759 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.412 -0.290 10.057 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.535 -1.608 9.791 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.701 -1.119 11.870 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.762 0.341 12.108 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.989 -2.484 13.485 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.287 -2.838 13.796 1.00 0.00 H new ATOM 558 N ALA A 40 11.526 0.960 10.403 1.00 0.00 N ATOM 559 CA ALA A 40 12.919 0.804 10.854 1.00 0.00 C ATOM 560 C ALA A 40 13.547 2.158 11.186 1.00 0.00 C ATOM 561 O ALA A 40 14.046 2.352 12.295 1.00 0.00 O ATOM 562 CB ALA A 40 13.803 0.047 9.875 1.00 0.00 C ATOM 0 H ALA A 40 11.135 1.881 10.603 1.00 0.00 H new ATOM 0 HA ALA A 40 12.862 0.196 11.757 1.00 0.00 H new ATOM 0 HB1 ALA A 40 14.813 -0.026 10.278 1.00 0.00 H new ATOM 0 HB2 ALA A 40 13.400 -0.954 9.720 1.00 0.00 H new ATOM 0 HB3 ALA A 40 13.830 0.578 8.924 1.00 0.00 H new ATOM 568 N PRO A 41 13.524 3.132 10.246 1.00 0.00 N ATOM 569 CA PRO A 41 14.088 4.463 10.492 1.00 0.00 C ATOM 570 C PRO A 41 13.332 5.158 11.613 1.00 0.00 C ATOM 571 O PRO A 41 13.815 5.252 12.742 1.00 0.00 O ATOM 572 CB PRO A 41 13.892 5.203 9.161 1.00 0.00 C ATOM 573 CG PRO A 41 13.640 4.131 8.155 1.00 0.00 C ATOM 574 CD PRO A 41 12.938 3.034 8.898 1.00 0.00 C ATOM 0 HA PRO A 41 15.133 4.430 10.800 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.054 5.898 9.216 1.00 0.00 H new ATOM 0 HB3 PRO A 41 14.774 5.788 8.901 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.027 4.502 7.333 1.00 0.00 H new ATOM 0 HG3 PRO A 41 14.574 3.774 7.721 1.00 0.00 H new ATOM 0 HD2 PRO A 41 11.858 3.182 8.914 1.00 0.00 H new ATOM 0 HD3 PRO A 41 13.120 2.058 8.447 1.00 0.00 H new ATOM 582 N GLY A 42 12.119 5.598 11.303 1.00 0.00 N ATOM 583 CA GLY A 42 11.282 6.226 12.300 1.00 0.00 C ATOM 584 C GLY A 42 10.464 5.176 13.016 1.00 0.00 C ATOM 585 O GLY A 42 9.747 5.466 13.975 1.00 0.00 O ATOM 0 H GLY A 42 11.701 5.530 10.375 1.00 0.00 H new ATOM 0 HA2 GLY A 42 11.899 6.770 13.015 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.623 6.955 11.828 1.00 0.00 H new ATOM 589 N LYS A 43 10.595 3.941 12.523 1.00 0.00 N ATOM 590 CA LYS A 43 9.898 2.780 13.066 1.00 0.00 C ATOM 591 C LYS A 43 8.416 3.061 13.292 1.00 0.00 C ATOM 592 O LYS A 43 7.882 4.058 12.806 1.00 0.00 O ATOM 593 CB LYS A 43 10.574 2.299 14.350 1.00 0.00 C ATOM 594 CG LYS A 43 10.183 3.078 15.597 1.00 0.00 C ATOM 595 CD LYS A 43 10.773 2.454 16.851 1.00 0.00 C ATOM 596 CE LYS A 43 10.152 1.099 17.146 1.00 0.00 C ATOM 597 NZ LYS A 43 9.335 1.122 18.391 1.00 0.00 N ATOM 0 H LYS A 43 11.195 3.721 11.728 1.00 0.00 H new ATOM 0 HA LYS A 43 9.960 1.981 12.327 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.330 1.248 14.502 1.00 0.00 H new ATOM 0 HB3 LYS A 43 11.655 2.361 14.222 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.526 4.109 15.506 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.097 3.110 15.682 1.00 0.00 H new ATOM 0 HD2 LYS A 43 11.851 2.343 16.730 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.614 3.120 17.699 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.526 0.796 16.307 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.940 0.352 17.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.929 0.179 18.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.937 1.386 19.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.568 1.817 18.290 1.00 0.00 H new ATOM 611 N GLY A 44 7.745 2.157 14.004 1.00 0.00 N ATOM 612 CA GLY A 44 6.323 2.322 14.242 1.00 0.00 C ATOM 613 C GLY A 44 5.562 2.368 12.935 1.00 0.00 C ATOM 614 O GLY A 44 4.423 2.831 12.878 1.00 0.00 O ATOM 0 H GLY A 44 8.158 1.321 14.416 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.954 1.499 14.854 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.148 3.240 14.803 1.00 0.00 H new ATOM 618 N LEU A 45 6.222 1.892 11.880 1.00 0.00 N ATOM 619 CA LEU A 45 5.656 1.870 10.537 1.00 0.00 C ATOM 620 C LEU A 45 5.498 3.282 9.989 1.00 0.00 C ATOM 621 O LEU A 45 5.479 4.257 10.741 1.00 0.00 O ATOM 622 CB LEU A 45 4.310 1.135 10.512 1.00 0.00 C ATOM 623 CG LEU A 45 4.143 0.033 9.448 1.00 0.00 C ATOM 624 CD1 LEU A 45 5.338 -0.059 8.505 1.00 0.00 C ATOM 625 CD2 LEU A 45 3.903 -1.309 10.123 1.00 0.00 C ATOM 0 H LEU A 45 7.166 1.510 11.935 1.00 0.00 H new ATOM 0 HA LEU A 45 6.352 1.327 9.897 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.148 0.688 11.493 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.522 1.873 10.364 1.00 0.00 H new ATOM 0 HG LEU A 45 3.278 0.301 8.841 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.166 -0.851 7.776 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.465 0.891 7.985 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.238 -0.282 9.078 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.786 -2.082 9.364 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.753 -1.552 10.761 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.998 -1.255 10.728 1.00 0.00 H new ATOM 637 N GLU A 46 5.391 3.380 8.670 1.00 0.00 N ATOM 638 CA GLU A 46 5.243 4.666 8.005 1.00 0.00 C ATOM 639 C GLU A 46 4.673 4.479 6.607 1.00 0.00 C ATOM 640 O GLU A 46 5.215 3.724 5.801 1.00 0.00 O ATOM 641 CB GLU A 46 6.598 5.391 7.937 1.00 0.00 C ATOM 642 CG GLU A 46 6.978 5.896 6.548 1.00 0.00 C ATOM 643 CD GLU A 46 7.735 7.210 6.591 1.00 0.00 C ATOM 644 OE1 GLU A 46 8.347 7.508 7.637 1.00 0.00 O ATOM 645 OE2 GLU A 46 7.713 7.940 5.578 1.00 0.00 O ATOM 0 H GLU A 46 5.404 2.579 8.038 1.00 0.00 H new ATOM 0 HA GLU A 46 4.549 5.277 8.583 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.578 6.237 8.624 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.376 4.713 8.289 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.589 5.145 6.047 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.074 6.021 5.951 1.00 0.00 H new ATOM 652 N TRP A 47 3.587 5.178 6.318 1.00 0.00 N ATOM 653 CA TRP A 47 2.969 5.089 5.009 1.00 0.00 C ATOM 654 C TRP A 47 3.813 5.840 3.985 1.00 0.00 C ATOM 655 O TRP A 47 3.890 7.069 4.018 1.00 0.00 O ATOM 656 CB TRP A 47 1.551 5.664 5.038 1.00 0.00 C ATOM 657 CG TRP A 47 1.077 6.095 3.687 1.00 0.00 C ATOM 658 CD1 TRP A 47 0.754 5.282 2.642 1.00 0.00 C ATOM 659 CD2 TRP A 47 0.902 7.439 3.225 1.00 0.00 C ATOM 660 NE1 TRP A 47 0.388 6.036 1.558 1.00 0.00 N ATOM 661 CE2 TRP A 47 0.466 7.363 1.890 1.00 0.00 C ATOM 662 CE3 TRP A 47 1.068 8.698 3.809 1.00 0.00 C ATOM 663 CZ2 TRP A 47 0.195 8.496 1.130 1.00 0.00 C ATOM 664 CZ3 TRP A 47 0.798 9.823 3.054 1.00 0.00 C ATOM 665 CH2 TRP A 47 0.367 9.715 1.726 1.00 0.00 C ATOM 0 H TRP A 47 3.119 5.809 6.969 1.00 0.00 H new ATOM 0 HA TRP A 47 2.909 4.038 4.726 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.867 4.915 5.437 1.00 0.00 H new ATOM 0 HB3 TRP A 47 1.522 6.516 5.718 1.00 0.00 H new ATOM 0 HD1 TRP A 47 0.782 4.203 2.665 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.103 5.669 0.650 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.401 8.790 4.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -0.139 8.416 0.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 0.921 10.801 3.495 1.00 0.00 H new ATOM 0 HH2 TRP A 47 0.166 10.613 1.161 1.00 0.00 H new ATOM 676 N VAL A 48 4.446 5.105 3.079 1.00 0.00 N ATOM 677 CA VAL A 48 5.276 5.732 2.060 1.00 0.00 C ATOM 678 C VAL A 48 4.447 6.181 0.869 1.00 0.00 C ATOM 679 O VAL A 48 4.456 7.355 0.499 1.00 0.00 O ATOM 680 CB VAL A 48 6.393 4.801 1.541 1.00 0.00 C ATOM 681 CG1 VAL A 48 7.597 4.835 2.463 1.00 0.00 C ATOM 682 CG2 VAL A 48 5.907 3.376 1.366 1.00 0.00 C ATOM 0 H VAL A 48 4.402 4.087 3.029 1.00 0.00 H new ATOM 0 HA VAL A 48 5.733 6.592 2.550 1.00 0.00 H new ATOM 0 HB VAL A 48 6.689 5.173 0.560 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.370 4.171 2.076 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.985 5.852 2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.302 4.506 3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.725 2.755 0.999 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.560 2.990 2.324 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.087 3.357 0.648 1.00 0.00 H new ATOM 692 N SER A 49 3.754 5.235 0.252 1.00 0.00 N ATOM 693 CA SER A 49 2.947 5.543 -0.928 1.00 0.00 C ATOM 694 C SER A 49 1.524 4.994 -0.843 1.00 0.00 C ATOM 695 O SER A 49 1.262 4.019 -0.145 1.00 0.00 O ATOM 696 CB SER A 49 3.627 4.981 -2.172 1.00 0.00 C ATOM 697 OG SER A 49 5.018 4.808 -1.962 1.00 0.00 O ATOM 0 H SER A 49 3.731 4.257 0.542 1.00 0.00 H new ATOM 0 HA SER A 49 2.870 6.629 -0.982 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.175 4.025 -2.436 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.465 5.654 -3.014 1.00 0.00 H new ATOM 0 HG SER A 49 5.490 5.632 -2.203 1.00 0.00 H new ATOM 703 N THR A 50 0.618 5.629 -1.592 1.00 0.00 N ATOM 704 CA THR A 50 -0.786 5.219 -1.652 1.00 0.00 C ATOM 705 C THR A 50 -1.292 5.312 -3.090 1.00 0.00 C ATOM 706 O THR A 50 -1.054 6.308 -3.773 1.00 0.00 O ATOM 707 CB THR A 50 -1.685 6.089 -0.739 1.00 0.00 C ATOM 708 OG1 THR A 50 -1.855 5.454 0.531 1.00 0.00 O ATOM 709 CG2 THR A 50 -3.058 6.326 -1.360 1.00 0.00 C ATOM 0 H THR A 50 0.837 6.439 -2.172 1.00 0.00 H new ATOM 0 HA THR A 50 -0.840 4.190 -1.297 1.00 0.00 H new ATOM 0 HB THR A 50 -1.189 7.052 -0.616 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.421 5.991 1.226 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.659 6.940 -0.690 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.942 6.838 -2.315 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.555 5.369 -1.519 1.00 0.00 H new ATOM 717 N ILE A 51 -1.984 4.275 -3.549 1.00 0.00 N ATOM 718 CA ILE A 51 -2.509 4.262 -4.910 1.00 0.00 C ATOM 719 C ILE A 51 -4.030 4.120 -4.926 1.00 0.00 C ATOM 720 O ILE A 51 -4.616 3.498 -4.040 1.00 0.00 O ATOM 721 CB ILE A 51 -1.881 3.126 -5.739 1.00 0.00 C ATOM 722 CG1 ILE A 51 -2.184 3.317 -7.227 1.00 0.00 C ATOM 723 CG2 ILE A 51 -2.378 1.772 -5.256 1.00 0.00 C ATOM 724 CD1 ILE A 51 -0.991 3.055 -8.120 1.00 0.00 C ATOM 0 H ILE A 51 -2.193 3.439 -3.004 1.00 0.00 H new ATOM 0 HA ILE A 51 -2.243 5.220 -5.358 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.800 3.158 -5.604 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -2.997 2.650 -7.514 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.535 4.336 -7.391 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.923 0.983 -5.854 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.106 1.637 -4.209 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.462 1.725 -5.358 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.275 3.208 -9.161 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.184 3.740 -7.859 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.653 2.028 -7.984 1.00 0.00 H new ATOM 736 N ASN A 52 -4.659 4.703 -5.944 1.00 0.00 N ATOM 737 CA ASN A 52 -6.110 4.646 -6.086 1.00 0.00 C ATOM 738 C ASN A 52 -6.514 3.568 -7.091 1.00 0.00 C ATOM 739 O ASN A 52 -5.710 3.163 -7.931 1.00 0.00 O ATOM 740 CB ASN A 52 -6.649 6.008 -6.529 1.00 0.00 C ATOM 741 CG ASN A 52 -6.036 7.154 -5.747 1.00 0.00 C ATOM 742 OD1 ASN A 52 -5.972 8.326 -6.368 1.00 0.00 O flip ATOM 743 ND2 ASN A 52 -5.627 6.989 -4.599 1.00 0.00 N flip ATOM 0 H ASN A 52 -4.185 5.221 -6.684 1.00 0.00 H new ATOM 0 HA ASN A 52 -6.541 4.391 -5.118 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.448 6.148 -7.591 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.732 6.025 -6.405 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -5.696 6.071 -4.160 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.219 7.770 -4.086 1.00 0.00 H new ATOM 750 N PRO A 53 -7.769 3.083 -7.018 1.00 0.00 N ATOM 751 CA PRO A 53 -8.269 2.043 -7.924 1.00 0.00 C ATOM 752 C PRO A 53 -8.025 2.372 -9.396 1.00 0.00 C ATOM 753 O PRO A 53 -7.046 1.914 -9.986 1.00 0.00 O ATOM 754 CB PRO A 53 -9.770 2.001 -7.625 1.00 0.00 C ATOM 755 CG PRO A 53 -9.890 2.489 -6.223 1.00 0.00 C ATOM 756 CD PRO A 53 -8.795 3.502 -6.042 1.00 0.00 C ATOM 0 HA PRO A 53 -7.760 1.092 -7.764 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -10.329 2.634 -8.314 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -10.166 0.991 -7.728 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.868 2.937 -6.048 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.783 1.668 -5.514 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.148 4.514 -6.241 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.406 3.495 -5.024 1.00 0.00 H new ATOM 764 N GLY A 54 -8.922 3.159 -9.987 1.00 0.00 N ATOM 765 CA GLY A 54 -8.783 3.520 -11.387 1.00 0.00 C ATOM 766 C GLY A 54 -8.517 4.999 -11.592 1.00 0.00 C ATOM 767 O GLY A 54 -8.358 5.453 -12.726 1.00 0.00 O ATOM 0 H GLY A 54 -9.740 3.552 -9.522 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.967 2.945 -11.826 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.692 3.242 -11.921 1.00 0.00 H new ATOM 771 N ASP A 55 -8.467 5.751 -10.498 1.00 0.00 N ATOM 772 CA ASP A 55 -8.217 7.187 -10.571 1.00 0.00 C ATOM 773 C ASP A 55 -6.853 7.470 -11.191 1.00 0.00 C ATOM 774 O ASP A 55 -6.750 8.185 -12.189 1.00 0.00 O ATOM 775 CB ASP A 55 -8.295 7.813 -9.178 1.00 0.00 C ATOM 776 CG ASP A 55 -9.098 9.098 -9.170 1.00 0.00 C ATOM 777 OD1 ASP A 55 -8.546 10.146 -9.567 1.00 0.00 O ATOM 778 OD2 ASP A 55 -10.279 9.058 -8.766 1.00 0.00 O ATOM 0 H ASP A 55 -8.596 5.392 -9.552 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.985 7.631 -11.204 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.746 7.101 -8.487 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.287 8.015 -8.816 1.00 0.00 H new ATOM 783 N GLY A 56 -5.809 6.904 -10.594 1.00 0.00 N ATOM 784 CA GLY A 56 -4.463 7.105 -11.102 1.00 0.00 C ATOM 785 C GLY A 56 -3.643 8.025 -10.220 1.00 0.00 C ATOM 786 O GLY A 56 -2.413 7.963 -10.221 1.00 0.00 O ATOM 0 H GLY A 56 -5.870 6.310 -9.767 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.961 6.141 -11.183 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.516 7.522 -12.108 1.00 0.00 H new ATOM 790 N SER A 57 -4.326 8.879 -9.464 1.00 0.00 N ATOM 791 CA SER A 57 -3.653 9.815 -8.570 1.00 0.00 C ATOM 792 C SER A 57 -2.853 9.065 -7.512 1.00 0.00 C ATOM 793 O SER A 57 -3.244 7.982 -7.076 1.00 0.00 O ATOM 794 CB SER A 57 -4.672 10.738 -7.900 1.00 0.00 C ATOM 795 OG SER A 57 -5.995 10.401 -8.282 1.00 0.00 O ATOM 0 H SER A 57 -5.344 8.942 -9.453 1.00 0.00 H new ATOM 0 HA SER A 57 -2.966 10.420 -9.162 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.574 10.667 -6.817 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.464 11.773 -8.172 1.00 0.00 H new ATOM 0 HG SER A 57 -6.306 9.640 -7.749 1.00 0.00 H new ATOM 801 N THR A 58 -1.727 9.643 -7.106 1.00 0.00 N ATOM 802 CA THR A 58 -0.872 9.023 -6.103 1.00 0.00 C ATOM 803 C THR A 58 -0.477 10.016 -5.016 1.00 0.00 C ATOM 804 O THR A 58 -0.292 11.204 -5.281 1.00 0.00 O ATOM 805 CB THR A 58 0.406 8.444 -6.738 1.00 0.00 C ATOM 806 OG1 THR A 58 0.423 8.712 -8.144 1.00 0.00 O ATOM 807 CG2 THR A 58 0.497 6.946 -6.503 1.00 0.00 C ATOM 0 H THR A 58 -1.387 10.539 -7.456 1.00 0.00 H new ATOM 0 HA THR A 58 -1.451 8.215 -5.656 1.00 0.00 H new ATOM 0 HB THR A 58 1.265 8.923 -6.268 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.240 8.341 -8.538 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.408 6.561 -6.961 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.517 6.746 -5.432 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.368 6.455 -6.948 1.00 0.00 H new ATOM 815 N TYR A 59 -0.343 9.514 -3.793 1.00 0.00 N ATOM 816 CA TYR A 59 0.036 10.344 -2.657 1.00 0.00 C ATOM 817 C TYR A 59 1.168 9.688 -1.872 1.00 0.00 C ATOM 818 O TYR A 59 1.182 8.471 -1.690 1.00 0.00 O ATOM 819 CB TYR A 59 -1.167 10.578 -1.739 1.00 0.00 C ATOM 820 CG TYR A 59 -2.438 10.932 -2.478 1.00 0.00 C ATOM 821 CD1 TYR A 59 -2.735 12.251 -2.797 1.00 0.00 C ATOM 822 CD2 TYR A 59 -3.341 9.946 -2.856 1.00 0.00 C ATOM 823 CE1 TYR A 59 -3.897 12.578 -3.472 1.00 0.00 C ATOM 824 CE2 TYR A 59 -4.504 10.265 -3.531 1.00 0.00 C ATOM 825 CZ TYR A 59 -4.778 11.582 -3.836 1.00 0.00 C ATOM 826 OH TYR A 59 -5.934 11.904 -4.508 1.00 0.00 O ATOM 0 H TYR A 59 -0.492 8.531 -3.563 1.00 0.00 H new ATOM 0 HA TYR A 59 0.381 11.306 -3.037 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.340 9.680 -1.146 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -0.929 11.380 -1.040 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.047 13.034 -2.513 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.131 8.914 -2.618 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.113 13.608 -3.713 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.195 9.487 -3.818 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.444 11.088 -4.691 1.00 0.00 H new ATOM 836 N TYR A 60 2.114 10.500 -1.412 1.00 0.00 N ATOM 837 CA TYR A 60 3.248 9.994 -0.647 1.00 0.00 C ATOM 838 C TYR A 60 3.376 10.733 0.679 1.00 0.00 C ATOM 839 O TYR A 60 2.715 11.748 0.904 1.00 0.00 O ATOM 840 CB TYR A 60 4.545 10.144 -1.447 1.00 0.00 C ATOM 841 CG TYR A 60 4.713 9.113 -2.541 1.00 0.00 C ATOM 842 CD1 TYR A 60 3.827 9.052 -3.610 1.00 0.00 C ATOM 843 CD2 TYR A 60 5.761 8.202 -2.506 1.00 0.00 C ATOM 844 CE1 TYR A 60 3.979 8.114 -4.612 1.00 0.00 C ATOM 845 CE2 TYR A 60 5.921 7.260 -3.505 1.00 0.00 C ATOM 846 CZ TYR A 60 5.028 7.220 -4.555 1.00 0.00 C ATOM 847 OH TYR A 60 5.183 6.283 -5.551 1.00 0.00 O ATOM 0 H TYR A 60 2.118 11.510 -1.555 1.00 0.00 H new ATOM 0 HA TYR A 60 3.073 8.937 -0.446 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.573 11.139 -1.891 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.392 10.076 -0.764 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.005 9.751 -3.658 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.462 8.230 -1.685 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.281 8.081 -5.435 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.741 6.559 -3.463 1.00 0.00 H new ATOM 0 HH TYR A 60 6.122 6.256 -5.832 1.00 0.00 H new ATOM 857 N ALA A 61 4.234 10.218 1.552 1.00 0.00 N ATOM 858 CA ALA A 61 4.456 10.828 2.860 1.00 0.00 C ATOM 859 C ALA A 61 5.289 12.102 2.744 1.00 0.00 C ATOM 860 O ALA A 61 5.770 12.628 3.750 1.00 0.00 O ATOM 861 CB ALA A 61 5.136 9.837 3.792 1.00 0.00 C ATOM 0 H ALA A 61 4.788 9.379 1.379 1.00 0.00 H new ATOM 0 HA ALA A 61 3.485 11.099 3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.296 10.303 4.764 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.504 8.957 3.911 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.096 9.540 3.369 1.00 0.00 H new ATOM 867 N ASP A 62 5.455 12.588 1.511 1.00 0.00 N ATOM 868 CA ASP A 62 6.228 13.802 1.237 1.00 0.00 C ATOM 869 C ASP A 62 7.729 13.546 1.354 1.00 0.00 C ATOM 870 O ASP A 62 8.529 14.169 0.655 1.00 0.00 O ATOM 871 CB ASP A 62 5.813 14.939 2.175 1.00 0.00 C ATOM 872 CG ASP A 62 6.014 16.306 1.552 1.00 0.00 C ATOM 873 OD1 ASP A 62 7.182 16.719 1.389 1.00 0.00 O ATOM 874 OD2 ASP A 62 5.004 16.967 1.230 1.00 0.00 O ATOM 0 H ASP A 62 5.059 12.153 0.678 1.00 0.00 H new ATOM 0 HA ASP A 62 6.012 14.099 0.211 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.764 14.817 2.447 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.391 14.875 3.097 1.00 0.00 H new ATOM 879 N SER A 63 8.107 12.625 2.234 1.00 0.00 N ATOM 880 CA SER A 63 9.510 12.287 2.432 1.00 0.00 C ATOM 881 C SER A 63 9.884 11.055 1.616 1.00 0.00 C ATOM 882 O SER A 63 10.968 10.496 1.778 1.00 0.00 O ATOM 883 CB SER A 63 9.795 12.041 3.915 1.00 0.00 C ATOM 884 OG SER A 63 9.456 13.175 4.695 1.00 0.00 O ATOM 0 H SER A 63 7.460 12.099 2.822 1.00 0.00 H new ATOM 0 HA SER A 63 10.116 13.127 2.092 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.227 11.176 4.259 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.850 11.804 4.051 1.00 0.00 H new ATOM 0 HG SER A 63 9.646 12.992 5.639 1.00 0.00 H new ATOM 890 N VAL A 64 8.975 10.639 0.740 1.00 0.00 N ATOM 891 CA VAL A 64 9.201 9.472 -0.105 1.00 0.00 C ATOM 892 C VAL A 64 8.700 9.712 -1.526 1.00 0.00 C ATOM 893 O VAL A 64 8.864 8.859 -2.402 1.00 0.00 O ATOM 894 CB VAL A 64 8.503 8.224 0.464 1.00 0.00 C ATOM 895 CG1 VAL A 64 9.315 7.623 1.599 1.00 0.00 C ATOM 896 CG2 VAL A 64 7.100 8.568 0.929 1.00 0.00 C ATOM 0 H VAL A 64 8.073 11.094 0.597 1.00 0.00 H new ATOM 0 HA VAL A 64 10.278 9.304 -0.125 1.00 0.00 H new ATOM 0 HB VAL A 64 8.429 7.480 -0.329 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.803 6.742 1.986 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.300 7.337 1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.425 8.358 2.396 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.620 7.675 1.329 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.151 9.331 1.706 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.520 8.946 0.087 1.00 0.00 H new ATOM 906 N LYS A 65 8.092 10.878 -1.752 1.00 0.00 N ATOM 907 CA LYS A 65 7.578 11.221 -3.075 1.00 0.00 C ATOM 908 C LYS A 65 8.714 11.213 -4.089 1.00 0.00 C ATOM 909 O LYS A 65 9.717 11.906 -3.916 1.00 0.00 O ATOM 910 CB LYS A 65 6.898 12.591 -3.052 1.00 0.00 C ATOM 911 CG LYS A 65 6.180 12.934 -4.348 1.00 0.00 C ATOM 912 CD LYS A 65 4.834 12.234 -4.446 1.00 0.00 C ATOM 913 CE LYS A 65 3.711 13.219 -4.727 1.00 0.00 C ATOM 914 NZ LYS A 65 4.064 14.167 -5.820 1.00 0.00 N ATOM 0 H LYS A 65 7.945 11.594 -1.041 1.00 0.00 H new ATOM 0 HA LYS A 65 6.836 10.477 -3.365 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.182 12.618 -2.231 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.647 13.356 -2.847 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.035 14.013 -4.409 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.802 12.647 -5.196 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.869 11.486 -5.238 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.630 11.704 -3.515 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.808 12.672 -4.998 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.484 13.779 -3.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.210 14.401 -6.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.463 15.036 -5.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.766 13.727 -6.448 1.00 0.00 H new ATOM 928 N GLY A 66 8.563 10.407 -5.133 1.00 0.00 N ATOM 929 CA GLY A 66 9.602 10.305 -6.140 1.00 0.00 C ATOM 930 C GLY A 66 10.651 9.290 -5.741 1.00 0.00 C ATOM 931 O GLY A 66 11.334 8.717 -6.590 1.00 0.00 O ATOM 0 H GLY A 66 7.743 9.824 -5.300 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.160 10.020 -7.095 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.070 11.279 -6.284 1.00 0.00 H new ATOM 935 N ARG A 67 10.761 9.063 -4.435 1.00 0.00 N ATOM 936 CA ARG A 67 11.712 8.106 -3.893 1.00 0.00 C ATOM 937 C ARG A 67 11.318 6.690 -4.278 1.00 0.00 C ATOM 938 O ARG A 67 12.106 5.947 -4.863 1.00 0.00 O ATOM 939 CB ARG A 67 11.765 8.218 -2.367 1.00 0.00 C ATOM 940 CG ARG A 67 13.093 7.794 -1.769 1.00 0.00 C ATOM 941 CD ARG A 67 14.214 8.708 -2.227 1.00 0.00 C ATOM 942 NE ARG A 67 14.274 9.933 -1.433 1.00 0.00 N ATOM 943 CZ ARG A 67 15.122 10.930 -1.672 1.00 0.00 C ATOM 944 NH1 ARG A 67 15.988 10.848 -2.674 1.00 0.00 N ATOM 945 NH2 ARG A 67 15.104 12.012 -0.906 1.00 0.00 N ATOM 0 H ARG A 67 10.196 9.535 -3.729 1.00 0.00 H new ATOM 0 HA ARG A 67 12.695 8.330 -4.307 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.561 9.250 -2.080 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.972 7.605 -1.939 1.00 0.00 H new ATOM 0 HG2 ARG A 67 13.027 7.811 -0.681 1.00 0.00 H new ATOM 0 HG3 ARG A 67 13.315 6.767 -2.059 1.00 0.00 H new ATOM 0 HD2 ARG A 67 15.165 8.181 -2.154 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.070 8.962 -3.277 1.00 0.00 H new ATOM 0 HE ARG A 67 13.628 10.030 -0.650 1.00 0.00 H new ATOM 0 HH11 ARG A 67 16.006 10.017 -3.266 1.00 0.00 H new ATOM 0 HH12 ARG A 67 16.636 11.616 -2.852 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.440 12.080 -0.134 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.754 12.777 -1.088 1.00 0.00 H new ATOM 959 N PHE A 68 10.090 6.327 -3.934 1.00 0.00 N ATOM 960 CA PHE A 68 9.575 4.998 -4.228 1.00 0.00 C ATOM 961 C PHE A 68 8.437 5.066 -5.238 1.00 0.00 C ATOM 962 O PHE A 68 7.875 6.133 -5.487 1.00 0.00 O ATOM 963 CB PHE A 68 9.085 4.329 -2.941 1.00 0.00 C ATOM 964 CG PHE A 68 10.165 4.070 -1.923 1.00 0.00 C ATOM 965 CD1 PHE A 68 11.506 4.077 -2.282 1.00 0.00 C ATOM 966 CD2 PHE A 68 9.833 3.825 -0.599 1.00 0.00 C ATOM 967 CE1 PHE A 68 12.491 3.840 -1.342 1.00 0.00 C ATOM 968 CE2 PHE A 68 10.816 3.588 0.343 1.00 0.00 C ATOM 969 CZ PHE A 68 12.146 3.597 -0.029 1.00 0.00 C ATOM 0 H PHE A 68 9.431 6.936 -3.450 1.00 0.00 H new ATOM 0 HA PHE A 68 10.384 4.407 -4.658 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.319 4.958 -2.488 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.609 3.382 -3.197 1.00 0.00 H new ATOM 0 HD1 PHE A 68 11.783 4.270 -3.308 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.795 3.819 -0.301 1.00 0.00 H new ATOM 0 HE1 PHE A 68 13.530 3.845 -1.635 1.00 0.00 H new ATOM 0 HE2 PHE A 68 10.544 3.396 1.370 1.00 0.00 H new ATOM 0 HZ PHE A 68 12.915 3.414 0.707 1.00 0.00 H new ATOM 979 N THR A 69 8.096 3.917 -5.809 1.00 0.00 N ATOM 980 CA THR A 69 7.015 3.835 -6.782 1.00 0.00 C ATOM 981 C THR A 69 5.996 2.793 -6.354 1.00 0.00 C ATOM 982 O THR A 69 6.324 1.623 -6.181 1.00 0.00 O ATOM 983 CB THR A 69 7.537 3.485 -8.192 1.00 0.00 C ATOM 984 OG1 THR A 69 8.278 4.588 -8.727 1.00 0.00 O ATOM 985 CG2 THR A 69 6.385 3.140 -9.131 1.00 0.00 C ATOM 0 H THR A 69 8.554 3.027 -5.614 1.00 0.00 H new ATOM 0 HA THR A 69 6.545 4.818 -6.824 1.00 0.00 H new ATOM 0 HB THR A 69 8.188 2.615 -8.107 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.607 4.358 -9.621 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.780 2.897 -10.118 1.00 0.00 H new ATOM 0 HG22 THR A 69 5.839 2.282 -8.738 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.712 3.994 -9.210 1.00 0.00 H new ATOM 993 N ILE A 70 4.761 3.231 -6.179 1.00 0.00 N ATOM 994 CA ILE A 70 3.689 2.345 -5.757 1.00 0.00 C ATOM 995 C ILE A 70 2.791 1.963 -6.932 1.00 0.00 C ATOM 996 O ILE A 70 2.169 2.814 -7.570 1.00 0.00 O ATOM 997 CB ILE A 70 2.852 3.001 -4.638 1.00 0.00 C ATOM 998 CG1 ILE A 70 1.916 1.972 -3.987 1.00 0.00 C ATOM 999 CG2 ILE A 70 2.085 4.205 -5.172 1.00 0.00 C ATOM 1000 CD1 ILE A 70 0.607 2.544 -3.488 1.00 0.00 C ATOM 0 H ILE A 70 4.475 4.199 -6.323 1.00 0.00 H new ATOM 0 HA ILE A 70 4.145 1.434 -5.368 1.00 0.00 H new ATOM 0 HB ILE A 70 3.529 3.363 -3.865 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.702 1.185 -4.710 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.436 1.504 -3.151 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.502 4.652 -4.366 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.788 4.941 -5.562 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.415 3.885 -5.970 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.008 1.749 -3.044 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.807 3.310 -2.739 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.062 2.986 -4.322 1.00 0.00 H new ATOM 1012 N SER A 71 2.742 0.668 -7.215 1.00 0.00 N ATOM 1013 CA SER A 71 1.936 0.149 -8.310 1.00 0.00 C ATOM 1014 C SER A 71 1.493 -1.275 -8.009 1.00 0.00 C ATOM 1015 O SER A 71 2.098 -1.959 -7.187 1.00 0.00 O ATOM 1016 CB SER A 71 2.725 0.188 -9.620 1.00 0.00 C ATOM 1017 OG SER A 71 1.890 -0.101 -10.727 1.00 0.00 O ATOM 0 H SER A 71 3.255 -0.046 -6.697 1.00 0.00 H new ATOM 0 HA SER A 71 1.052 0.778 -8.417 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.176 1.172 -9.748 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.541 -0.533 -9.578 1.00 0.00 H new ATOM 0 HG SER A 71 2.418 -0.068 -11.552 1.00 0.00 H new ATOM 1023 N ARG A 72 0.436 -1.716 -8.675 1.00 0.00 N ATOM 1024 CA ARG A 72 -0.084 -3.062 -8.467 1.00 0.00 C ATOM 1025 C ARG A 72 -0.596 -3.661 -9.772 1.00 0.00 C ATOM 1026 O ARG A 72 -0.728 -2.966 -10.780 1.00 0.00 O ATOM 1027 CB ARG A 72 -1.201 -3.042 -7.422 1.00 0.00 C ATOM 1028 CG ARG A 72 -2.475 -2.362 -7.898 1.00 0.00 C ATOM 1029 CD ARG A 72 -2.590 -0.950 -7.350 1.00 0.00 C ATOM 1030 NE ARG A 72 -2.678 0.047 -8.414 1.00 0.00 N ATOM 1031 CZ ARG A 72 -3.822 0.423 -8.981 1.00 0.00 C ATOM 1032 NH1 ARG A 72 -4.970 -0.109 -8.584 1.00 0.00 N ATOM 1033 NH2 ARG A 72 -3.817 1.334 -9.946 1.00 0.00 N ATOM 0 H ARG A 72 -0.078 -1.165 -9.362 1.00 0.00 H new ATOM 0 HA ARG A 72 0.732 -3.687 -8.104 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.434 -4.067 -7.133 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -0.841 -2.533 -6.528 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.488 -2.333 -8.988 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -3.340 -2.947 -7.585 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.472 -0.879 -6.714 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.726 -0.734 -6.722 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.814 0.479 -8.741 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.978 -0.809 -7.842 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.845 0.182 -9.021 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.936 1.746 -10.254 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.694 1.622 -10.380 1.00 0.00 H new ATOM 1047 N ASP A 73 -0.881 -4.960 -9.744 1.00 0.00 N ATOM 1048 CA ASP A 73 -1.379 -5.662 -10.920 1.00 0.00 C ATOM 1049 C ASP A 73 -2.902 -5.747 -10.899 1.00 0.00 C ATOM 1050 O ASP A 73 -3.509 -5.897 -9.838 1.00 0.00 O ATOM 1051 CB ASP A 73 -0.776 -7.067 -10.989 1.00 0.00 C ATOM 1052 CG ASP A 73 0.093 -7.265 -12.214 1.00 0.00 C ATOM 1053 OD1 ASP A 73 -0.238 -6.698 -13.276 1.00 0.00 O ATOM 1054 OD2 ASP A 73 1.108 -7.987 -12.111 1.00 0.00 O ATOM 0 H ASP A 73 -0.775 -5.548 -8.917 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.079 -5.101 -11.805 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.182 -7.249 -10.093 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.579 -7.804 -10.994 1.00 0.00 H new ATOM 1059 N ASN A 74 -3.513 -5.650 -12.076 1.00 0.00 N ATOM 1060 CA ASN A 74 -4.967 -5.716 -12.191 1.00 0.00 C ATOM 1061 C ASN A 74 -5.420 -7.133 -12.528 1.00 0.00 C ATOM 1062 O ASN A 74 -6.585 -7.361 -12.856 1.00 0.00 O ATOM 1063 CB ASN A 74 -5.464 -4.742 -13.261 1.00 0.00 C ATOM 1064 CG ASN A 74 -4.363 -4.310 -14.212 1.00 0.00 C ATOM 1065 OD1 ASN A 74 -4.135 -4.940 -15.244 1.00 0.00 O ATOM 1066 ND2 ASN A 74 -3.674 -3.228 -13.866 1.00 0.00 N ATOM 0 H ASN A 74 -3.025 -5.526 -12.963 1.00 0.00 H new ATOM 0 HA ASN A 74 -5.395 -5.434 -11.229 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -6.267 -5.211 -13.830 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.888 -3.862 -12.777 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -2.922 -2.889 -14.466 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -3.897 -2.736 -13.001 1.00 0.00 H new ATOM 1073 N ALA A 75 -4.492 -8.080 -12.443 1.00 0.00 N ATOM 1074 CA ALA A 75 -4.793 -9.475 -12.739 1.00 0.00 C ATOM 1075 C ALA A 75 -4.631 -10.347 -11.500 1.00 0.00 C ATOM 1076 O ALA A 75 -4.794 -11.565 -11.560 1.00 0.00 O ATOM 1077 CB ALA A 75 -3.898 -9.979 -13.862 1.00 0.00 C ATOM 0 H ALA A 75 -3.524 -7.906 -12.171 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.833 -9.537 -13.060 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.132 -11.022 -14.074 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.066 -9.380 -14.757 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.854 -9.896 -13.560 1.00 0.00 H new ATOM 1083 N LYS A 76 -4.307 -9.714 -10.375 1.00 0.00 N ATOM 1084 CA LYS A 76 -4.121 -10.432 -9.119 1.00 0.00 C ATOM 1085 C LYS A 76 -4.128 -9.472 -7.934 1.00 0.00 C ATOM 1086 O LYS A 76 -3.866 -8.279 -8.087 1.00 0.00 O ATOM 1087 CB LYS A 76 -2.804 -11.211 -9.144 1.00 0.00 C ATOM 1088 CG LYS A 76 -1.648 -10.427 -9.744 1.00 0.00 C ATOM 1089 CD LYS A 76 -0.405 -11.290 -9.892 1.00 0.00 C ATOM 1090 CE LYS A 76 0.070 -11.337 -11.335 1.00 0.00 C ATOM 1091 NZ LYS A 76 0.930 -12.525 -11.597 1.00 0.00 N ATOM 0 H LYS A 76 -4.168 -8.706 -10.309 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.951 -11.130 -9.005 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.545 -11.504 -8.127 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.945 -12.129 -9.714 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.939 -10.037 -10.719 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.423 -9.568 -9.112 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.390 -10.897 -9.258 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.619 -12.301 -9.545 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.793 -11.359 -12.001 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.626 -10.428 -11.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.234 -12.521 -12.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.766 -12.491 -10.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.391 -13.393 -11.403 1.00 0.00 H new ATOM 1105 N ASN A 77 -4.423 -10.004 -6.753 1.00 0.00 N ATOM 1106 CA ASN A 77 -4.457 -9.199 -5.538 1.00 0.00 C ATOM 1107 C ASN A 77 -3.056 -9.049 -4.956 1.00 0.00 C ATOM 1108 O ASN A 77 -2.719 -9.681 -3.954 1.00 0.00 O ATOM 1109 CB ASN A 77 -5.387 -9.837 -4.504 1.00 0.00 C ATOM 1110 CG ASN A 77 -5.186 -11.335 -4.390 1.00 0.00 C ATOM 1111 OD1 ASN A 77 -4.157 -11.871 -4.803 1.00 0.00 O ATOM 1112 ND2 ASN A 77 -6.173 -12.022 -3.827 1.00 0.00 N ATOM 0 H ASN A 77 -4.642 -10.990 -6.611 1.00 0.00 H new ATOM 0 HA ASN A 77 -4.837 -8.210 -5.793 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -5.215 -9.375 -3.532 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -6.423 -9.632 -4.776 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -6.096 -13.034 -3.723 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.009 -11.538 -3.498 1.00 0.00 H new ATOM 1119 N THR A 78 -2.240 -8.217 -5.594 1.00 0.00 N ATOM 1120 CA THR A 78 -0.873 -7.998 -5.139 1.00 0.00 C ATOM 1121 C THR A 78 -0.484 -6.525 -5.217 1.00 0.00 C ATOM 1122 O THR A 78 -1.006 -5.775 -6.041 1.00 0.00 O ATOM 1123 CB THR A 78 0.128 -8.819 -5.971 1.00 0.00 C ATOM 1124 OG1 THR A 78 -0.532 -9.942 -6.568 1.00 0.00 O ATOM 1125 CG2 THR A 78 1.280 -9.305 -5.104 1.00 0.00 C ATOM 0 H THR A 78 -2.501 -7.685 -6.425 1.00 0.00 H new ATOM 0 HA THR A 78 -0.836 -8.322 -4.099 1.00 0.00 H new ATOM 0 HB THR A 78 0.528 -8.176 -6.755 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.113 -10.457 -7.097 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.975 -9.883 -5.713 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.799 -8.448 -4.675 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.892 -9.933 -4.302 1.00 0.00 H new ATOM 1133 N LEU A 79 0.448 -6.125 -4.358 1.00 0.00 N ATOM 1134 CA LEU A 79 0.932 -4.751 -4.323 1.00 0.00 C ATOM 1135 C LEU A 79 2.447 -4.725 -4.490 1.00 0.00 C ATOM 1136 O LEU A 79 3.173 -5.384 -3.746 1.00 0.00 O ATOM 1137 CB LEU A 79 0.533 -4.073 -3.007 1.00 0.00 C ATOM 1138 CG LEU A 79 0.657 -2.544 -2.992 1.00 0.00 C ATOM 1139 CD1 LEU A 79 -0.256 -1.913 -4.034 1.00 0.00 C ATOM 1140 CD2 LEU A 79 0.340 -1.999 -1.607 1.00 0.00 C ATOM 0 H LEU A 79 0.886 -6.740 -3.672 1.00 0.00 H new ATOM 0 HA LEU A 79 0.476 -4.201 -5.146 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.499 -4.339 -2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.151 -4.479 -2.206 1.00 0.00 H new ATOM 0 HG LEU A 79 1.686 -2.285 -3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.149 -0.829 -4.003 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.017 -2.276 -5.025 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.291 -2.182 -3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.433 -0.913 -1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.678 -2.275 -1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.038 -2.418 -0.882 1.00 0.00 H new ATOM 1152 N TYR A 80 2.916 -3.977 -5.482 1.00 0.00 N ATOM 1153 CA TYR A 80 4.345 -3.878 -5.760 1.00 0.00 C ATOM 1154 C TYR A 80 4.861 -2.462 -5.520 1.00 0.00 C ATOM 1155 O TYR A 80 4.089 -1.504 -5.487 1.00 0.00 O ATOM 1156 CB TYR A 80 4.629 -4.274 -7.211 1.00 0.00 C ATOM 1157 CG TYR A 80 4.287 -5.710 -7.543 1.00 0.00 C ATOM 1158 CD1 TYR A 80 2.966 -6.113 -7.704 1.00 0.00 C ATOM 1159 CD2 TYR A 80 5.286 -6.661 -7.703 1.00 0.00 C ATOM 1160 CE1 TYR A 80 2.653 -7.422 -8.016 1.00 0.00 C ATOM 1161 CE2 TYR A 80 4.981 -7.972 -8.014 1.00 0.00 C ATOM 1162 CZ TYR A 80 3.663 -8.347 -8.170 1.00 0.00 C ATOM 1163 OH TYR A 80 3.356 -9.652 -8.480 1.00 0.00 O ATOM 0 H TYR A 80 2.327 -3.429 -6.109 1.00 0.00 H new ATOM 0 HA TYR A 80 4.860 -4.558 -5.081 1.00 0.00 H new ATOM 0 HB2 TYR A 80 4.065 -3.616 -7.872 1.00 0.00 H new ATOM 0 HB3 TYR A 80 5.685 -4.107 -7.421 1.00 0.00 H new ATOM 0 HD1 TYR A 80 2.172 -5.391 -7.583 1.00 0.00 H new ATOM 0 HD2 TYR A 80 6.319 -6.371 -7.582 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.622 -7.719 -8.139 1.00 0.00 H new ATOM 0 HE2 TYR A 80 5.770 -8.699 -8.134 1.00 0.00 H new ATOM 0 HH TYR A 80 4.182 -10.174 -8.554 1.00 0.00 H new ATOM 1173 N LEU A 81 6.178 -2.338 -5.375 1.00 0.00 N ATOM 1174 CA LEU A 81 6.809 -1.041 -5.167 1.00 0.00 C ATOM 1175 C LEU A 81 8.269 -1.074 -5.595 1.00 0.00 C ATOM 1176 O LEU A 81 8.998 -2.020 -5.289 1.00 0.00 O ATOM 1177 CB LEU A 81 6.714 -0.594 -3.705 1.00 0.00 C ATOM 1178 CG LEU A 81 7.277 0.808 -3.431 1.00 0.00 C ATOM 1179 CD1 LEU A 81 6.168 1.780 -3.064 1.00 0.00 C ATOM 1180 CD2 LEU A 81 8.319 0.767 -2.331 1.00 0.00 C ATOM 0 H LEU A 81 6.829 -3.123 -5.398 1.00 0.00 H new ATOM 0 HA LEU A 81 6.270 -0.321 -5.783 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.668 -0.619 -3.398 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.246 -1.314 -3.083 1.00 0.00 H new ATOM 0 HG LEU A 81 7.752 1.157 -4.348 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.595 2.765 -2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.455 1.845 -3.886 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.658 1.428 -2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.703 1.772 -2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.867 0.386 -1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.138 0.113 -2.630 1.00 0.00 H new ATOM 1192 N GLN A 82 8.688 -0.031 -6.302 1.00 0.00 N ATOM 1193 CA GLN A 82 10.060 0.076 -6.774 1.00 0.00 C ATOM 1194 C GLN A 82 10.834 1.078 -5.927 1.00 0.00 C ATOM 1195 O GLN A 82 10.579 2.281 -5.982 1.00 0.00 O ATOM 1196 CB GLN A 82 10.085 0.501 -8.243 1.00 0.00 C ATOM 1197 CG GLN A 82 11.295 -0.015 -9.005 1.00 0.00 C ATOM 1198 CD GLN A 82 10.942 -1.133 -9.967 1.00 0.00 C ATOM 1199 OE1 GLN A 82 9.992 -1.023 -10.742 1.00 0.00 O ATOM 1200 NE2 GLN A 82 11.707 -2.217 -9.919 1.00 0.00 N ATOM 0 H GLN A 82 8.092 0.755 -6.561 1.00 0.00 H new ATOM 0 HA GLN A 82 10.534 -0.901 -6.683 1.00 0.00 H new ATOM 0 HB2 GLN A 82 9.179 0.143 -8.732 1.00 0.00 H new ATOM 0 HB3 GLN A 82 10.068 1.589 -8.298 1.00 0.00 H new ATOM 0 HG2 GLN A 82 11.749 0.807 -9.559 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.042 -0.372 -8.296 1.00 0.00 H new ATOM 0 HE21 GLN A 82 12.484 -2.264 -9.260 1.00 0.00 H new ATOM 0 HE22 GLN A 82 11.518 -3.003 -10.541 1.00 0.00 H new ATOM 1209 N MET A 83 11.779 0.572 -5.146 1.00 0.00 N ATOM 1210 CA MET A 83 12.590 1.420 -4.285 1.00 0.00 C ATOM 1211 C MET A 83 13.760 2.006 -5.062 1.00 0.00 C ATOM 1212 O MET A 83 14.758 1.327 -5.311 1.00 0.00 O ATOM 1213 CB MET A 83 13.106 0.619 -3.089 1.00 0.00 C ATOM 1214 CG MET A 83 12.016 0.204 -2.115 1.00 0.00 C ATOM 1215 SD MET A 83 12.171 -1.516 -1.596 1.00 0.00 S ATOM 1216 CE MET A 83 10.870 -1.613 -0.371 1.00 0.00 C ATOM 0 H MET A 83 12.002 -0.422 -5.091 1.00 0.00 H new ATOM 0 HA MET A 83 11.968 2.238 -3.922 1.00 0.00 H new ATOM 0 HB2 MET A 83 13.615 -0.274 -3.453 1.00 0.00 H new ATOM 0 HB3 MET A 83 13.848 1.214 -2.557 1.00 0.00 H new ATOM 0 HG2 MET A 83 12.053 0.850 -1.237 1.00 0.00 H new ATOM 0 HG3 MET A 83 11.042 0.353 -2.580 1.00 0.00 H new ATOM 0 HE1 MET A 83 10.401 -2.596 -0.415 1.00 0.00 H new ATOM 0 HE2 MET A 83 11.293 -1.457 0.622 1.00 0.00 H new ATOM 0 HE3 MET A 83 10.123 -0.845 -0.572 1.00 0.00 H new ATOM 1226 N ASN A 84 13.624 3.270 -5.448 1.00 0.00 N ATOM 1227 CA ASN A 84 14.664 3.957 -6.205 1.00 0.00 C ATOM 1228 C ASN A 84 15.482 4.873 -5.301 1.00 0.00 C ATOM 1229 O ASN A 84 15.087 5.152 -4.169 1.00 0.00 O ATOM 1230 CB ASN A 84 14.044 4.770 -7.341 1.00 0.00 C ATOM 1231 CG ASN A 84 13.197 3.919 -8.266 1.00 0.00 C ATOM 1232 OD1 ASN A 84 11.971 3.898 -8.161 1.00 0.00 O ATOM 1233 ND2 ASN A 84 13.850 3.211 -9.181 1.00 0.00 N ATOM 0 H ASN A 84 12.802 3.840 -5.249 1.00 0.00 H new ATOM 0 HA ASN A 84 15.328 3.202 -6.626 1.00 0.00 H new ATOM 0 HB2 ASN A 84 13.430 5.566 -6.921 1.00 0.00 H new ATOM 0 HB3 ASN A 84 14.837 5.248 -7.916 1.00 0.00 H new ATOM 0 HD21 ASN A 84 13.334 2.620 -9.832 1.00 0.00 H new ATOM 0 HD22 ASN A 84 14.868 3.259 -9.232 1.00 0.00 H new ATOM 1240 N SER A 85 16.621 5.334 -5.818 1.00 0.00 N ATOM 1241 CA SER A 85 17.517 6.224 -5.082 1.00 0.00 C ATOM 1242 C SER A 85 18.210 5.484 -3.943 1.00 0.00 C ATOM 1243 O SER A 85 19.406 5.207 -4.009 1.00 0.00 O ATOM 1244 CB SER A 85 16.754 7.434 -4.536 1.00 0.00 C ATOM 1245 OG SER A 85 17.628 8.525 -4.300 1.00 0.00 O ATOM 0 H SER A 85 16.947 5.101 -6.756 1.00 0.00 H new ATOM 0 HA SER A 85 18.279 6.576 -5.778 1.00 0.00 H new ATOM 0 HB2 SER A 85 15.981 7.730 -5.245 1.00 0.00 H new ATOM 0 HB3 SER A 85 16.249 7.161 -3.609 1.00 0.00 H new ATOM 0 HG SER A 85 17.264 9.333 -4.719 1.00 0.00 H new ATOM 1251 N LEU A 86 17.443 5.167 -2.905 1.00 0.00 N ATOM 1252 CA LEU A 86 17.963 4.456 -1.736 1.00 0.00 C ATOM 1253 C LEU A 86 19.061 5.260 -1.041 1.00 0.00 C ATOM 1254 O LEU A 86 19.738 6.079 -1.663 1.00 0.00 O ATOM 1255 CB LEU A 86 18.497 3.075 -2.136 1.00 0.00 C ATOM 1256 CG LEU A 86 17.503 2.157 -2.864 1.00 0.00 C ATOM 1257 CD1 LEU A 86 16.069 2.442 -2.439 1.00 0.00 C ATOM 1258 CD2 LEU A 86 17.652 2.301 -4.371 1.00 0.00 C ATOM 0 H LEU A 86 16.450 5.393 -2.847 1.00 0.00 H new ATOM 0 HA LEU A 86 17.138 4.327 -1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 86 19.368 3.215 -2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 86 18.841 2.565 -1.236 1.00 0.00 H new ATOM 0 HG LEU A 86 17.733 1.129 -2.586 1.00 0.00 H new ATOM 0 HD11 LEU A 86 15.392 1.775 -2.973 1.00 0.00 H new ATOM 0 HD12 LEU A 86 15.968 2.278 -1.366 1.00 0.00 H new ATOM 0 HD13 LEU A 86 15.819 3.477 -2.673 1.00 0.00 H new ATOM 0 HD21 LEU A 86 16.941 1.644 -4.871 1.00 0.00 H new ATOM 0 HD22 LEU A 86 17.456 3.334 -4.659 1.00 0.00 H new ATOM 0 HD23 LEU A 86 18.666 2.028 -4.664 1.00 0.00 H new ATOM 1270 N LYS A 87 19.228 5.021 0.257 1.00 0.00 N ATOM 1271 CA LYS A 87 20.241 5.722 1.041 1.00 0.00 C ATOM 1272 C LYS A 87 20.355 5.129 2.441 1.00 0.00 C ATOM 1273 O LYS A 87 21.368 4.521 2.789 1.00 0.00 O ATOM 1274 CB LYS A 87 19.907 7.215 1.134 1.00 0.00 C ATOM 1275 CG LYS A 87 18.417 7.508 1.223 1.00 0.00 C ATOM 1276 CD LYS A 87 18.137 8.723 2.093 1.00 0.00 C ATOM 1277 CE LYS A 87 17.440 9.823 1.310 1.00 0.00 C ATOM 1278 NZ LYS A 87 18.411 10.789 0.722 1.00 0.00 N ATOM 0 H LYS A 87 18.675 4.348 0.788 1.00 0.00 H new ATOM 0 HA LYS A 87 21.199 5.602 0.535 1.00 0.00 H new ATOM 0 HB2 LYS A 87 20.403 7.635 2.009 1.00 0.00 H new ATOM 0 HB3 LYS A 87 20.316 7.724 0.261 1.00 0.00 H new ATOM 0 HG2 LYS A 87 18.018 7.676 0.223 1.00 0.00 H new ATOM 0 HG3 LYS A 87 17.899 6.640 1.631 1.00 0.00 H new ATOM 0 HD2 LYS A 87 17.517 8.430 2.940 1.00 0.00 H new ATOM 0 HD3 LYS A 87 19.074 9.103 2.500 1.00 0.00 H new ATOM 0 HE2 LYS A 87 16.843 9.379 0.514 1.00 0.00 H new ATOM 0 HE3 LYS A 87 16.751 10.355 1.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 17.895 11.523 0.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 18.964 11.232 1.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 19.052 10.287 0.076 1.00 0.00 H new ATOM 1292 N SER A 88 19.309 5.313 3.239 1.00 0.00 N ATOM 1293 CA SER A 88 19.281 4.804 4.605 1.00 0.00 C ATOM 1294 C SER A 88 17.853 4.505 5.028 1.00 0.00 C ATOM 1295 O SER A 88 17.570 3.469 5.631 1.00 0.00 O ATOM 1296 CB SER A 88 19.885 5.829 5.565 1.00 0.00 C ATOM 1297 OG SER A 88 21.188 6.210 5.156 1.00 0.00 O ATOM 0 H SER A 88 18.465 5.814 2.961 1.00 0.00 H new ATOM 0 HA SER A 88 19.868 3.886 4.639 1.00 0.00 H new ATOM 0 HB2 SER A 88 19.244 6.709 5.612 1.00 0.00 H new ATOM 0 HB3 SER A 88 19.925 5.410 6.570 1.00 0.00 H new ATOM 0 HG SER A 88 21.550 6.867 5.787 1.00 0.00 H new ATOM 1303 N GLU A 89 16.961 5.433 4.712 1.00 0.00 N ATOM 1304 CA GLU A 89 15.555 5.301 5.056 1.00 0.00 C ATOM 1305 C GLU A 89 14.951 4.042 4.439 1.00 0.00 C ATOM 1306 O GLU A 89 14.031 3.449 5.000 1.00 0.00 O ATOM 1307 CB GLU A 89 14.794 6.544 4.596 1.00 0.00 C ATOM 1308 CG GLU A 89 14.472 6.557 3.109 1.00 0.00 C ATOM 1309 CD GLU A 89 13.833 7.857 2.659 1.00 0.00 C ATOM 1310 OE1 GLU A 89 14.579 8.814 2.363 1.00 0.00 O ATOM 1311 OE2 GLU A 89 12.586 7.919 2.603 1.00 0.00 O ATOM 0 H GLU A 89 17.191 6.293 4.213 1.00 0.00 H new ATOM 0 HA GLU A 89 15.470 5.210 6.139 1.00 0.00 H new ATOM 0 HB2 GLU A 89 13.864 6.617 5.159 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.383 7.429 4.837 1.00 0.00 H new ATOM 0 HG2 GLU A 89 15.388 6.392 2.542 1.00 0.00 H new ATOM 0 HG3 GLU A 89 13.801 5.729 2.880 1.00 0.00 H new ATOM 1318 N ASP A 90 15.472 3.638 3.284 1.00 0.00 N ATOM 1319 CA ASP A 90 14.978 2.448 2.600 1.00 0.00 C ATOM 1320 C ASP A 90 15.202 1.197 3.445 1.00 0.00 C ATOM 1321 O ASP A 90 14.447 0.229 3.349 1.00 0.00 O ATOM 1322 CB ASP A 90 15.661 2.288 1.241 1.00 0.00 C ATOM 1323 CG ASP A 90 15.125 1.102 0.463 1.00 0.00 C ATOM 1324 OD1 ASP A 90 13.890 1.009 0.299 1.00 0.00 O ATOM 1325 OD2 ASP A 90 15.939 0.266 0.017 1.00 0.00 O ATOM 0 H ASP A 90 16.234 4.116 2.803 1.00 0.00 H new ATOM 0 HA ASP A 90 13.906 2.573 2.446 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.519 3.197 0.656 1.00 0.00 H new ATOM 0 HB3 ASP A 90 16.734 2.168 1.388 1.00 0.00 H new ATOM 1330 N THR A 91 16.242 1.226 4.273 1.00 0.00 N ATOM 1331 CA THR A 91 16.563 0.095 5.137 1.00 0.00 C ATOM 1332 C THR A 91 15.494 -0.100 6.208 1.00 0.00 C ATOM 1333 O THR A 91 15.588 0.461 7.300 1.00 0.00 O ATOM 1334 CB THR A 91 17.930 0.281 5.823 1.00 0.00 C ATOM 1335 OG1 THR A 91 18.886 0.787 4.884 1.00 0.00 O ATOM 1336 CG2 THR A 91 18.427 -1.034 6.402 1.00 0.00 C ATOM 0 H THR A 91 16.876 2.020 4.364 1.00 0.00 H new ATOM 0 HA THR A 91 16.601 -0.788 4.499 1.00 0.00 H new ATOM 0 HB THR A 91 17.809 0.996 6.637 1.00 0.00 H new ATOM 0 HG1 THR A 91 18.800 1.761 4.823 1.00 0.00 H new ATOM 0 HG21 THR A 91 19.394 -0.878 6.881 1.00 0.00 H new ATOM 0 HG22 THR A 91 17.712 -1.401 7.138 1.00 0.00 H new ATOM 0 HG23 THR A 91 18.532 -1.767 5.602 1.00 0.00 H new ATOM 1344 N ALA A 92 14.480 -0.900 5.886 1.00 0.00 N ATOM 1345 CA ALA A 92 13.392 -1.171 6.820 1.00 0.00 C ATOM 1346 C ALA A 92 12.465 -2.252 6.287 1.00 0.00 C ATOM 1347 O ALA A 92 12.558 -2.649 5.126 1.00 0.00 O ATOM 1348 CB ALA A 92 12.596 0.098 7.092 1.00 0.00 C ATOM 0 H ALA A 92 14.390 -1.371 4.986 1.00 0.00 H new ATOM 0 HA ALA A 92 13.836 -1.524 7.751 1.00 0.00 H new ATOM 0 HB1 ALA A 92 11.788 -0.122 7.790 1.00 0.00 H new ATOM 0 HB2 ALA A 92 13.253 0.854 7.523 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.176 0.471 6.158 1.00 0.00 H new ATOM 1354 N VAL A 93 11.554 -2.709 7.140 1.00 0.00 N ATOM 1355 CA VAL A 93 10.590 -3.726 6.752 1.00 0.00 C ATOM 1356 C VAL A 93 9.362 -3.068 6.139 1.00 0.00 C ATOM 1357 O VAL A 93 8.755 -2.186 6.744 1.00 0.00 O ATOM 1358 CB VAL A 93 10.149 -4.592 7.945 1.00 0.00 C ATOM 1359 CG1 VAL A 93 9.436 -5.842 7.455 1.00 0.00 C ATOM 1360 CG2 VAL A 93 11.342 -4.964 8.810 1.00 0.00 C ATOM 0 H VAL A 93 11.465 -2.389 8.105 1.00 0.00 H new ATOM 0 HA VAL A 93 11.080 -4.373 6.024 1.00 0.00 H new ATOM 0 HB VAL A 93 9.455 -4.012 8.553 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.130 -6.445 8.310 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.556 -5.557 6.878 1.00 0.00 H new ATOM 0 HG13 VAL A 93 10.110 -6.422 6.825 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.007 -5.576 9.648 1.00 0.00 H new ATOM 0 HG22 VAL A 93 12.062 -5.526 8.215 1.00 0.00 H new ATOM 0 HG23 VAL A 93 11.813 -4.057 9.189 1.00 0.00 H new ATOM 1370 N TYR A 94 9.009 -3.489 4.933 1.00 0.00 N ATOM 1371 CA TYR A 94 7.863 -2.919 4.243 1.00 0.00 C ATOM 1372 C TYR A 94 6.671 -3.866 4.271 1.00 0.00 C ATOM 1373 O TYR A 94 6.829 -5.089 4.303 1.00 0.00 O ATOM 1374 CB TYR A 94 8.234 -2.573 2.800 1.00 0.00 C ATOM 1375 CG TYR A 94 9.215 -1.425 2.692 1.00 0.00 C ATOM 1376 CD1 TYR A 94 10.503 -1.539 3.201 1.00 0.00 C ATOM 1377 CD2 TYR A 94 8.851 -0.228 2.088 1.00 0.00 C ATOM 1378 CE1 TYR A 94 11.400 -0.493 3.110 1.00 0.00 C ATOM 1379 CE2 TYR A 94 9.745 0.822 1.994 1.00 0.00 C ATOM 1380 CZ TYR A 94 11.017 0.684 2.506 1.00 0.00 C ATOM 1381 OH TYR A 94 11.909 1.727 2.416 1.00 0.00 O ATOM 0 H TYR A 94 9.497 -4.219 4.415 1.00 0.00 H new ATOM 0 HA TYR A 94 7.576 -2.006 4.765 1.00 0.00 H new ATOM 0 HB2 TYR A 94 8.662 -3.454 2.321 1.00 0.00 H new ATOM 0 HB3 TYR A 94 7.328 -2.320 2.250 1.00 0.00 H new ATOM 0 HD1 TYR A 94 10.807 -2.460 3.675 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.855 -0.116 1.686 1.00 0.00 H new ATOM 0 HE1 TYR A 94 12.397 -0.597 3.511 1.00 0.00 H new ATOM 0 HE2 TYR A 94 9.448 1.747 1.521 1.00 0.00 H new ATOM 0 HH TYR A 94 11.846 2.136 1.527 1.00 0.00 H new ATOM 1391 N TYR A 95 5.478 -3.282 4.258 1.00 0.00 N ATOM 1392 CA TYR A 95 4.242 -4.053 4.279 1.00 0.00 C ATOM 1393 C TYR A 95 3.189 -3.397 3.394 1.00 0.00 C ATOM 1394 O TYR A 95 3.280 -2.213 3.076 1.00 0.00 O ATOM 1395 CB TYR A 95 3.682 -4.171 5.704 1.00 0.00 C ATOM 1396 CG TYR A 95 4.725 -4.300 6.795 1.00 0.00 C ATOM 1397 CD1 TYR A 95 5.377 -3.182 7.304 1.00 0.00 C ATOM 1398 CD2 TYR A 95 5.043 -5.542 7.330 1.00 0.00 C ATOM 1399 CE1 TYR A 95 6.317 -3.301 8.309 1.00 0.00 C ATOM 1400 CE2 TYR A 95 5.981 -5.666 8.337 1.00 0.00 C ATOM 1401 CZ TYR A 95 6.616 -4.544 8.822 1.00 0.00 C ATOM 1402 OH TYR A 95 7.551 -4.664 9.825 1.00 0.00 O ATOM 0 H TYR A 95 5.341 -2.272 4.233 1.00 0.00 H new ATOM 0 HA TYR A 95 4.476 -5.049 3.903 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.069 -3.294 5.911 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.023 -5.038 5.748 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.145 -2.205 6.907 1.00 0.00 H new ATOM 0 HD2 TYR A 95 4.549 -6.425 6.953 1.00 0.00 H new ATOM 0 HE1 TYR A 95 6.816 -2.423 8.691 1.00 0.00 H new ATOM 0 HE2 TYR A 95 6.215 -6.639 8.742 1.00 0.00 H new ATOM 0 HH TYR A 95 7.644 -5.607 10.075 1.00 0.00 H new ATOM 1412 N CYS A 96 2.173 -4.165 3.031 1.00 0.00 N ATOM 1413 CA CYS A 96 1.082 -3.654 2.223 1.00 0.00 C ATOM 1414 C CYS A 96 -0.184 -3.658 3.063 1.00 0.00 C ATOM 1415 O CYS A 96 -0.391 -4.561 3.874 1.00 0.00 O ATOM 1416 CB CYS A 96 0.896 -4.493 0.956 1.00 0.00 C ATOM 1417 SG CYS A 96 0.083 -6.096 1.235 1.00 0.00 S ATOM 0 H CYS A 96 2.084 -5.149 3.286 1.00 0.00 H new ATOM 0 HA CYS A 96 1.310 -2.637 1.905 1.00 0.00 H new ATOM 0 HB2 CYS A 96 0.309 -3.921 0.238 1.00 0.00 H new ATOM 0 HB3 CYS A 96 1.872 -4.667 0.503 1.00 0.00 H new ATOM 1422 N ALA A 97 -1.007 -2.639 2.900 1.00 0.00 N ATOM 1423 CA ALA A 97 -2.228 -2.532 3.685 1.00 0.00 C ATOM 1424 C ALA A 97 -3.308 -1.735 2.969 1.00 0.00 C ATOM 1425 O ALA A 97 -3.043 -1.036 1.991 1.00 0.00 O ATOM 1426 CB ALA A 97 -1.921 -1.896 5.028 1.00 0.00 C ATOM 0 H ALA A 97 -0.857 -1.878 2.238 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.613 -3.542 3.830 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.838 -1.818 5.612 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.200 -2.511 5.566 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.504 -0.901 4.873 1.00 0.00 H new ATOM 1432 N LYS A 98 -4.529 -1.845 3.482 1.00 0.00 N ATOM 1433 CA LYS A 98 -5.669 -1.135 2.921 1.00 0.00 C ATOM 1434 C LYS A 98 -5.834 0.215 3.618 1.00 0.00 C ATOM 1435 O LYS A 98 -5.446 0.374 4.776 1.00 0.00 O ATOM 1436 CB LYS A 98 -6.937 -1.990 3.062 1.00 0.00 C ATOM 1437 CG LYS A 98 -8.215 -1.195 3.289 1.00 0.00 C ATOM 1438 CD LYS A 98 -8.944 -1.667 4.535 1.00 0.00 C ATOM 1439 CE LYS A 98 -10.392 -1.213 4.537 1.00 0.00 C ATOM 1440 NZ LYS A 98 -11.228 -2.016 3.601 1.00 0.00 N ATOM 0 H LYS A 98 -4.754 -2.424 4.291 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.498 -0.952 1.860 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.055 -2.593 2.162 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.802 -2.682 3.894 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.975 -0.136 3.385 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.868 -1.297 2.422 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.902 -2.755 4.592 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.439 -1.282 5.421 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.796 -1.295 5.546 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.443 -0.161 4.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.232 -1.792 3.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.968 -1.788 2.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.069 -3.029 3.775 1.00 0.00 H new ATOM 1454 N TYR A 99 -6.404 1.182 2.909 1.00 0.00 N ATOM 1455 CA TYR A 99 -6.607 2.515 3.463 1.00 0.00 C ATOM 1456 C TYR A 99 -7.897 2.583 4.271 1.00 0.00 C ATOM 1457 O TYR A 99 -8.991 2.430 3.731 1.00 0.00 O ATOM 1458 CB TYR A 99 -6.634 3.557 2.343 1.00 0.00 C ATOM 1459 CG TYR A 99 -5.748 4.754 2.610 1.00 0.00 C ATOM 1460 CD1 TYR A 99 -4.398 4.590 2.890 1.00 0.00 C ATOM 1461 CD2 TYR A 99 -6.262 6.043 2.584 1.00 0.00 C ATOM 1462 CE1 TYR A 99 -3.583 5.677 3.138 1.00 0.00 C ATOM 1463 CE2 TYR A 99 -5.453 7.138 2.830 1.00 0.00 C ATOM 1464 CZ TYR A 99 -4.116 6.949 3.107 1.00 0.00 C ATOM 1465 OH TYR A 99 -3.308 8.035 3.353 1.00 0.00 O ATOM 0 H TYR A 99 -6.733 1.068 1.950 1.00 0.00 H new ATOM 0 HA TYR A 99 -5.774 2.732 4.132 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -6.322 3.085 1.411 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -7.659 3.899 2.200 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -3.978 3.595 2.914 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -7.310 6.194 2.368 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.535 5.532 3.355 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -5.867 8.135 2.805 1.00 0.00 H new ATOM 0 HH TYR A 99 -3.838 8.857 3.292 1.00 0.00 H new ATOM 1475 N SER A 100 -7.754 2.814 5.572 1.00 0.00 N ATOM 1476 CA SER A 100 -8.901 2.903 6.467 1.00 0.00 C ATOM 1477 C SER A 100 -9.306 4.357 6.689 1.00 0.00 C ATOM 1478 O SER A 100 -10.433 4.751 6.390 1.00 0.00 O ATOM 1479 CB SER A 100 -8.578 2.243 7.807 1.00 0.00 C ATOM 1480 OG SER A 100 -7.181 2.080 7.972 1.00 0.00 O ATOM 0 H SER A 100 -6.852 2.943 6.031 1.00 0.00 H new ATOM 0 HA SER A 100 -9.736 2.379 6.002 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.975 2.851 8.620 1.00 0.00 H new ATOM 0 HB3 SER A 100 -9.070 1.272 7.865 1.00 0.00 H new ATOM 0 HG SER A 100 -7.001 1.657 8.838 1.00 0.00 H new ATOM 1486 N GLY A 101 -8.375 5.150 7.213 1.00 0.00 N ATOM 1487 CA GLY A 101 -8.648 6.552 7.467 1.00 0.00 C ATOM 1488 C GLY A 101 -7.558 7.460 6.935 1.00 0.00 C ATOM 1489 O GLY A 101 -7.689 8.032 5.852 1.00 0.00 O ATOM 0 H GLY A 101 -7.435 4.845 7.466 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.599 6.823 7.008 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -8.756 6.709 8.540 1.00 0.00 H new ATOM 1493 N GLY A 102 -6.477 7.591 7.698 1.00 0.00 N ATOM 1494 CA GLY A 102 -5.371 8.435 7.283 1.00 0.00 C ATOM 1495 C GLY A 102 -4.067 8.055 7.956 1.00 0.00 C ATOM 1496 O GLY A 102 -3.081 8.787 7.870 1.00 0.00 O ATOM 0 H GLY A 102 -6.347 7.127 8.597 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.252 8.366 6.202 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -5.605 9.474 7.513 1.00 0.00 H new ATOM 1500 N ALA A 103 -4.063 6.909 8.629 1.00 0.00 N ATOM 1501 CA ALA A 103 -2.872 6.430 9.321 1.00 0.00 C ATOM 1502 C ALA A 103 -2.575 4.979 8.960 1.00 0.00 C ATOM 1503 O ALA A 103 -1.518 4.448 9.305 1.00 0.00 O ATOM 1504 CB ALA A 103 -3.043 6.576 10.826 1.00 0.00 C ATOM 0 H ALA A 103 -4.873 6.294 8.710 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.026 7.038 9.001 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.147 6.215 11.331 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.201 7.626 11.074 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.904 5.992 11.153 1.00 0.00 H new ATOM 1510 N LEU A 104 -3.518 4.346 8.267 1.00 0.00 N ATOM 1511 CA LEU A 104 -3.373 2.952 7.853 1.00 0.00 C ATOM 1512 C LEU A 104 -3.243 2.030 9.061 1.00 0.00 C ATOM 1513 O LEU A 104 -3.102 2.486 10.196 1.00 0.00 O ATOM 1514 CB LEU A 104 -2.157 2.784 6.938 1.00 0.00 C ATOM 1515 CG LEU A 104 -2.275 1.661 5.906 1.00 0.00 C ATOM 1516 CD1 LEU A 104 -3.006 2.148 4.669 1.00 0.00 C ATOM 1517 CD2 LEU A 104 -0.904 1.134 5.528 1.00 0.00 C ATOM 0 H LEU A 104 -4.396 4.779 7.979 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.272 2.676 7.302 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.984 3.723 6.413 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.279 2.598 7.556 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.848 0.849 6.354 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.080 1.335 3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -4.007 2.480 4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.457 2.979 4.225 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.011 0.336 4.793 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.308 1.942 5.103 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.406 0.745 6.416 1.00 0.00 H new ATOM 1529 N ASP A 105 -3.292 0.727 8.806 1.00 0.00 N ATOM 1530 CA ASP A 105 -3.178 -0.269 9.867 1.00 0.00 C ATOM 1531 C ASP A 105 -1.913 -1.104 9.689 1.00 0.00 C ATOM 1532 O ASP A 105 -1.289 -1.521 10.665 1.00 0.00 O ATOM 1533 CB ASP A 105 -4.409 -1.176 9.877 1.00 0.00 C ATOM 1534 CG ASP A 105 -5.015 -1.312 11.261 1.00 0.00 C ATOM 1535 OD1 ASP A 105 -5.097 -0.291 11.975 1.00 0.00 O ATOM 1536 OD2 ASP A 105 -5.407 -2.440 11.629 1.00 0.00 O ATOM 0 H ASP A 105 -3.410 0.335 7.872 1.00 0.00 H new ATOM 0 HA ASP A 105 -3.116 0.253 10.822 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -5.158 -0.776 9.193 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -4.133 -2.163 9.505 1.00 0.00 H new ATOM 1541 N ALA A 106 -1.541 -1.334 8.430 1.00 0.00 N ATOM 1542 CA ALA A 106 -0.349 -2.109 8.096 1.00 0.00 C ATOM 1543 C ALA A 106 -0.466 -3.563 8.534 1.00 0.00 C ATOM 1544 O ALA A 106 -0.569 -3.862 9.724 1.00 0.00 O ATOM 1545 CB ALA A 106 0.888 -1.481 8.708 1.00 0.00 C ATOM 0 H ALA A 106 -2.054 -0.990 7.618 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.258 -2.097 7.010 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.764 -2.074 8.447 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.009 -0.467 8.325 1.00 0.00 H new ATOM 0 HB3 ALA A 106 0.781 -1.449 9.792 1.00 0.00 H new ATOM 1551 N TRP A 107 -0.429 -4.460 7.558 1.00 0.00 N ATOM 1552 CA TRP A 107 -0.509 -5.889 7.817 1.00 0.00 C ATOM 1553 C TRP A 107 0.627 -6.611 7.094 1.00 0.00 C ATOM 1554 O TRP A 107 1.776 -6.171 7.133 1.00 0.00 O ATOM 1555 CB TRP A 107 -1.869 -6.438 7.371 1.00 0.00 C ATOM 1556 CG TRP A 107 -3.034 -5.622 7.846 1.00 0.00 C ATOM 1557 CD1 TRP A 107 -3.287 -5.220 9.126 1.00 0.00 C ATOM 1558 CD2 TRP A 107 -4.105 -5.113 7.047 1.00 0.00 C ATOM 1559 NE1 TRP A 107 -4.448 -4.488 9.169 1.00 0.00 N ATOM 1560 CE2 TRP A 107 -4.970 -4.408 7.904 1.00 0.00 C ATOM 1561 CE3 TRP A 107 -4.415 -5.184 5.688 1.00 0.00 C ATOM 1562 CZ2 TRP A 107 -6.124 -3.778 7.443 1.00 0.00 C ATOM 1563 CZ3 TRP A 107 -5.560 -4.560 5.230 1.00 0.00 C ATOM 1564 CH2 TRP A 107 -6.402 -3.865 6.106 1.00 0.00 C ATOM 0 H TRP A 107 -0.343 -4.219 6.571 1.00 0.00 H new ATOM 0 HA TRP A 107 -0.408 -6.062 8.889 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -1.891 -6.488 6.282 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -1.977 -7.458 7.739 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -2.665 -5.445 9.980 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -4.856 -4.072 10.006 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -3.771 -5.718 5.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -6.775 -3.241 8.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -5.809 -4.609 4.180 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -7.290 -3.387 5.718 1.00 0.00 H new ATOM 1575 N GLY A 108 0.301 -7.710 6.427 1.00 0.00 N ATOM 1576 CA GLY A 108 1.304 -8.462 5.696 1.00 0.00 C ATOM 1577 C GLY A 108 2.221 -9.261 6.601 1.00 0.00 C ATOM 1578 O GLY A 108 2.109 -9.197 7.825 1.00 0.00 O ATOM 0 H GLY A 108 -0.642 -8.096 6.379 1.00 0.00 H new ATOM 0 HA2 GLY A 108 0.808 -9.140 5.001 1.00 0.00 H new ATOM 0 HA3 GLY A 108 1.902 -7.774 5.098 1.00 0.00 H new ATOM 1582 N GLN A 109 3.129 -10.016 5.991 1.00 0.00 N ATOM 1583 CA GLN A 109 4.074 -10.837 6.737 1.00 0.00 C ATOM 1584 C GLN A 109 5.244 -10.001 7.245 1.00 0.00 C ATOM 1585 O GLN A 109 5.573 -10.034 8.432 1.00 0.00 O ATOM 1586 CB GLN A 109 4.593 -11.976 5.857 1.00 0.00 C ATOM 1587 CG GLN A 109 4.489 -13.346 6.507 1.00 0.00 C ATOM 1588 CD GLN A 109 5.729 -13.712 7.298 1.00 0.00 C ATOM 1589 OE1 GLN A 109 6.470 -14.621 6.926 1.00 0.00 O ATOM 1590 NE2 GLN A 109 5.960 -13.003 8.396 1.00 0.00 N ATOM 0 H GLN A 109 3.230 -10.076 4.978 1.00 0.00 H new ATOM 0 HA GLN A 109 3.552 -11.256 7.597 1.00 0.00 H new ATOM 0 HB2 GLN A 109 4.034 -11.984 4.921 1.00 0.00 H new ATOM 0 HB3 GLN A 109 5.635 -11.782 5.604 1.00 0.00 H new ATOM 0 HG2 GLN A 109 3.622 -13.366 7.168 1.00 0.00 H new ATOM 0 HG3 GLN A 109 4.319 -14.098 5.736 1.00 0.00 H new ATOM 0 HE21 GLN A 109 5.318 -12.258 8.666 1.00 0.00 H new ATOM 0 HE22 GLN A 109 6.779 -13.203 8.969 1.00 0.00 H new ATOM 1599 N GLY A 110 5.871 -9.252 6.342 1.00 0.00 N ATOM 1600 CA GLY A 110 6.998 -8.420 6.722 1.00 0.00 C ATOM 1601 C GLY A 110 8.228 -8.678 5.876 1.00 0.00 C ATOM 1602 O GLY A 110 8.965 -9.634 6.120 1.00 0.00 O ATOM 0 H GLY A 110 5.619 -9.207 5.355 1.00 0.00 H new ATOM 0 HA2 GLY A 110 6.715 -7.371 6.634 1.00 0.00 H new ATOM 0 HA3 GLY A 110 7.239 -8.599 7.770 1.00 0.00 H new ATOM 1606 N THR A 111 8.458 -7.823 4.882 1.00 0.00 N ATOM 1607 CA THR A 111 9.617 -7.972 4.011 1.00 0.00 C ATOM 1608 C THR A 111 10.756 -7.063 4.468 1.00 0.00 C ATOM 1609 O THR A 111 10.600 -5.846 4.549 1.00 0.00 O ATOM 1610 CB THR A 111 9.267 -7.673 2.537 1.00 0.00 C ATOM 1611 OG1 THR A 111 10.415 -7.883 1.713 1.00 0.00 O ATOM 1612 CG2 THR A 111 8.770 -6.247 2.359 1.00 0.00 C ATOM 0 H THR A 111 7.861 -7.026 4.662 1.00 0.00 H new ATOM 0 HA THR A 111 9.939 -9.011 4.078 1.00 0.00 H new ATOM 0 HB THR A 111 8.467 -8.352 2.241 1.00 0.00 H new ATOM 0 HG1 THR A 111 10.980 -8.578 2.110 1.00 0.00 H new ATOM 0 HG21 THR A 111 8.533 -6.073 1.309 1.00 0.00 H new ATOM 0 HG22 THR A 111 7.875 -6.096 2.963 1.00 0.00 H new ATOM 0 HG23 THR A 111 9.545 -5.549 2.677 1.00 0.00 H new ATOM 1620 N GLN A 112 11.897 -7.667 4.787 1.00 0.00 N ATOM 1621 CA GLN A 112 13.052 -6.910 5.258 1.00 0.00 C ATOM 1622 C GLN A 112 13.872 -6.358 4.100 1.00 0.00 C ATOM 1623 O GLN A 112 14.452 -7.112 3.318 1.00 0.00 O ATOM 1624 CB GLN A 112 13.939 -7.786 6.143 1.00 0.00 C ATOM 1625 CG GLN A 112 15.131 -7.045 6.727 1.00 0.00 C ATOM 1626 CD GLN A 112 14.907 -6.621 8.166 1.00 0.00 C ATOM 1627 OE1 GLN A 112 14.358 -7.376 8.969 1.00 0.00 O ATOM 1628 NE2 GLN A 112 15.333 -5.408 8.498 1.00 0.00 N ATOM 0 H GLN A 112 12.046 -8.674 4.728 1.00 0.00 H new ATOM 0 HA GLN A 112 12.675 -6.069 5.840 1.00 0.00 H new ATOM 0 HB2 GLN A 112 13.339 -8.192 6.957 1.00 0.00 H new ATOM 0 HB3 GLN A 112 14.298 -8.633 5.559 1.00 0.00 H new ATOM 0 HG2 GLN A 112 16.013 -7.684 6.673 1.00 0.00 H new ATOM 0 HG3 GLN A 112 15.339 -6.163 6.121 1.00 0.00 H new ATOM 0 HE21 GLN A 112 15.783 -4.816 7.799 1.00 0.00 H new ATOM 0 HE22 GLN A 112 15.211 -5.068 9.452 1.00 0.00 H new ATOM 1637 N VAL A 113 13.929 -5.036 4.013 1.00 0.00 N ATOM 1638 CA VAL A 113 14.690 -4.362 2.969 1.00 0.00 C ATOM 1639 C VAL A 113 15.932 -3.709 3.565 1.00 0.00 C ATOM 1640 O VAL A 113 15.827 -2.837 4.428 1.00 0.00 O ATOM 1641 CB VAL A 113 13.841 -3.291 2.258 1.00 0.00 C ATOM 1642 CG1 VAL A 113 14.665 -2.549 1.218 1.00 0.00 C ATOM 1643 CG2 VAL A 113 12.611 -3.923 1.625 1.00 0.00 C ATOM 0 H VAL A 113 13.454 -4.405 4.658 1.00 0.00 H new ATOM 0 HA VAL A 113 14.984 -5.113 2.235 1.00 0.00 H new ATOM 0 HB VAL A 113 13.510 -2.566 3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 113 14.044 -1.798 0.730 1.00 0.00 H new ATOM 0 HG12 VAL A 113 15.510 -2.061 1.704 1.00 0.00 H new ATOM 0 HG13 VAL A 113 15.033 -3.255 0.474 1.00 0.00 H new ATOM 0 HG21 VAL A 113 12.022 -3.153 1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 113 12.921 -4.671 0.896 1.00 0.00 H new ATOM 0 HG23 VAL A 113 12.007 -4.398 2.398 1.00 0.00 H new ATOM 1653 N THR A 114 17.106 -4.143 3.119 1.00 0.00 N ATOM 1654 CA THR A 114 18.356 -3.598 3.638 1.00 0.00 C ATOM 1655 C THR A 114 19.166 -2.887 2.559 1.00 0.00 C ATOM 1656 O THR A 114 19.126 -3.254 1.382 1.00 0.00 O ATOM 1657 CB THR A 114 19.224 -4.699 4.272 1.00 0.00 C ATOM 1658 OG1 THR A 114 18.541 -5.958 4.216 1.00 0.00 O ATOM 1659 CG2 THR A 114 19.552 -4.361 5.720 1.00 0.00 C ATOM 0 H THR A 114 17.219 -4.864 2.406 1.00 0.00 H new ATOM 0 HA THR A 114 18.077 -2.870 4.399 1.00 0.00 H new ATOM 0 HB THR A 114 20.155 -4.766 3.708 1.00 0.00 H new ATOM 0 HG1 THR A 114 19.102 -6.653 4.620 1.00 0.00 H new ATOM 0 HG21 THR A 114 20.166 -5.153 6.148 1.00 0.00 H new ATOM 0 HG22 THR A 114 20.097 -3.418 5.759 1.00 0.00 H new ATOM 0 HG23 THR A 114 18.628 -4.270 6.291 1.00 0.00 H new ATOM 1667 N VAL A 115 19.907 -1.865 2.980 1.00 0.00 N ATOM 1668 CA VAL A 115 20.743 -1.088 2.073 1.00 0.00 C ATOM 1669 C VAL A 115 22.171 -0.991 2.604 1.00 0.00 C ATOM 1670 O VAL A 115 22.384 -0.706 3.783 1.00 0.00 O ATOM 1671 CB VAL A 115 20.182 0.333 1.867 1.00 0.00 C ATOM 1672 CG1 VAL A 115 21.082 1.142 0.946 1.00 0.00 C ATOM 1673 CG2 VAL A 115 18.764 0.271 1.319 1.00 0.00 C ATOM 0 H VAL A 115 19.944 -1.555 3.951 1.00 0.00 H new ATOM 0 HA VAL A 115 20.745 -1.607 1.114 1.00 0.00 H new ATOM 0 HB VAL A 115 20.154 0.834 2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 115 20.666 2.141 0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 115 22.077 1.218 1.384 1.00 0.00 H new ATOM 0 HG13 VAL A 115 21.149 0.648 -0.023 1.00 0.00 H new ATOM 0 HG21 VAL A 115 18.383 1.283 1.180 1.00 0.00 H new ATOM 0 HG22 VAL A 115 18.766 -0.251 0.362 1.00 0.00 H new ATOM 0 HG23 VAL A 115 18.125 -0.263 2.022 1.00 0.00 H new ATOM 1683 N SER A 116 23.143 -1.232 1.731 1.00 0.00 N ATOM 1684 CA SER A 116 24.548 -1.172 2.117 1.00 0.00 C ATOM 1685 C SER A 116 25.431 -0.821 0.923 1.00 0.00 C ATOM 1686 O SER A 116 25.288 -1.392 -0.158 1.00 0.00 O ATOM 1687 CB SER A 116 24.989 -2.508 2.718 1.00 0.00 C ATOM 1688 OG SER A 116 26.136 -2.346 3.535 1.00 0.00 O ATOM 0 H SER A 116 22.984 -1.471 0.752 1.00 0.00 H new ATOM 0 HA SER A 116 24.659 -0.388 2.866 1.00 0.00 H new ATOM 0 HB2 SER A 116 24.176 -2.931 3.307 1.00 0.00 H new ATOM 0 HB3 SER A 116 25.205 -3.216 1.918 1.00 0.00 H new ATOM 0 HG SER A 116 26.397 -3.214 3.909 1.00 0.00 H new ATOM 1694 N SER A 117 26.346 0.123 1.131 1.00 0.00 N ATOM 1695 CA SER A 117 27.258 0.555 0.076 1.00 0.00 C ATOM 1696 C SER A 117 28.592 -0.177 0.178 1.00 0.00 C ATOM 1697 O SER A 117 29.629 0.340 -0.241 1.00 0.00 O ATOM 1698 CB SER A 117 27.483 2.066 0.157 1.00 0.00 C ATOM 1699 OG SER A 117 28.086 2.556 -1.028 1.00 0.00 O ATOM 0 H SER A 117 26.475 0.603 2.021 1.00 0.00 H new ATOM 0 HA SER A 117 26.805 0.313 -0.885 1.00 0.00 H new ATOM 0 HB2 SER A 117 26.531 2.570 0.320 1.00 0.00 H new ATOM 0 HB3 SER A 117 28.116 2.297 1.013 1.00 0.00 H new ATOM 0 HG SER A 117 28.892 2.034 -1.225 1.00 0.00 H new ATOM 1705 N GLN A 118 28.556 -1.384 0.738 1.00 0.00 N ATOM 1706 CA GLN A 118 29.757 -2.199 0.901 1.00 0.00 C ATOM 1707 C GLN A 118 30.788 -1.493 1.778 1.00 0.00 C ATOM 1708 O GLN A 118 30.551 -0.389 2.268 1.00 0.00 O ATOM 1709 CB GLN A 118 30.368 -2.528 -0.465 1.00 0.00 C ATOM 1710 CG GLN A 118 29.460 -3.371 -1.346 1.00 0.00 C ATOM 1711 CD GLN A 118 30.074 -3.667 -2.700 1.00 0.00 C ATOM 1712 OE1 GLN A 118 30.691 -4.714 -2.899 1.00 0.00 O ATOM 1713 NE2 GLN A 118 29.906 -2.746 -3.641 1.00 0.00 N ATOM 0 H GLN A 118 27.703 -1.821 1.088 1.00 0.00 H new ATOM 0 HA GLN A 118 29.467 -3.127 1.395 1.00 0.00 H new ATOM 0 HB2 GLN A 118 30.603 -1.598 -0.983 1.00 0.00 H new ATOM 0 HB3 GLN A 118 31.310 -3.056 -0.316 1.00 0.00 H new ATOM 0 HG2 GLN A 118 29.237 -4.310 -0.839 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.512 -2.852 -1.487 1.00 0.00 H new ATOM 0 HE21 GLN A 118 29.388 -1.893 -3.433 1.00 0.00 H new ATOM 0 HE22 GLN A 118 30.295 -2.892 -4.572 1.00 0.00 H new ATOM 1722 N SER A 119 31.933 -2.142 1.976 1.00 0.00 N ATOM 1723 CA SER A 119 32.999 -1.580 2.797 1.00 0.00 C ATOM 1724 C SER A 119 34.045 -0.886 1.930 1.00 0.00 C ATOM 1725 O SER A 119 34.904 -1.537 1.335 1.00 0.00 O ATOM 1726 CB SER A 119 33.660 -2.677 3.634 1.00 0.00 C ATOM 1727 OG SER A 119 34.977 -2.312 4.006 1.00 0.00 O ATOM 0 H SER A 119 32.145 -3.057 1.579 1.00 0.00 H new ATOM 0 HA SER A 119 32.557 -0.840 3.465 1.00 0.00 H new ATOM 0 HB2 SER A 119 33.065 -2.865 4.528 1.00 0.00 H new ATOM 0 HB3 SER A 119 33.684 -3.607 3.066 1.00 0.00 H new ATOM 0 HG SER A 119 35.376 -3.029 4.541 1.00 0.00 H new ATOM 1733 N GLU A 120 33.964 0.439 1.865 1.00 0.00 N ATOM 1734 CA GLU A 120 34.903 1.227 1.072 1.00 0.00 C ATOM 1735 C GLU A 120 35.029 2.641 1.631 1.00 0.00 C ATOM 1736 O GLU A 120 34.326 3.012 2.570 1.00 0.00 O ATOM 1737 CB GLU A 120 34.452 1.281 -0.389 1.00 0.00 C ATOM 1738 CG GLU A 120 32.945 1.368 -0.560 1.00 0.00 C ATOM 1739 CD GLU A 120 32.439 0.527 -1.716 1.00 0.00 C ATOM 1740 OE1 GLU A 120 33.022 -0.549 -1.967 1.00 0.00 O ATOM 1741 OE2 GLU A 120 31.461 0.945 -2.371 1.00 0.00 O ATOM 0 H GLU A 120 33.258 0.991 2.352 1.00 0.00 H new ATOM 0 HA GLU A 120 35.879 0.745 1.124 1.00 0.00 H new ATOM 0 HB2 GLU A 120 34.914 2.143 -0.871 1.00 0.00 H new ATOM 0 HB3 GLU A 120 34.817 0.393 -0.906 1.00 0.00 H new ATOM 0 HG2 GLU A 120 32.459 1.043 0.360 1.00 0.00 H new ATOM 0 HG3 GLU A 120 32.661 2.408 -0.721 1.00 0.00 H new ATOM 1748 N GLN A 121 35.932 3.424 1.047 1.00 0.00 N ATOM 1749 CA GLN A 121 36.151 4.798 1.488 1.00 0.00 C ATOM 1750 C GLN A 121 36.305 5.736 0.295 1.00 0.00 C ATOM 1751 O GLN A 121 36.865 5.360 -0.735 1.00 0.00 O ATOM 1752 CB GLN A 121 37.390 4.877 2.381 1.00 0.00 C ATOM 1753 CG GLN A 121 37.710 6.284 2.860 1.00 0.00 C ATOM 1754 CD GLN A 121 39.153 6.439 3.299 1.00 0.00 C ATOM 1755 OE1 GLN A 121 40.058 5.754 2.609 1.00 0.00 O flip ATOM 1756 NE2 GLN A 121 39.451 7.168 4.245 1.00 0.00 N flip ATOM 0 H GLN A 121 36.523 3.131 0.269 1.00 0.00 H new ATOM 0 HA GLN A 121 35.279 5.113 2.061 1.00 0.00 H new ATOM 0 HB2 GLN A 121 37.244 4.232 3.248 1.00 0.00 H new ATOM 0 HB3 GLN A 121 38.247 4.486 1.833 1.00 0.00 H new ATOM 0 HG2 GLN A 121 37.500 6.993 2.059 1.00 0.00 H new ATOM 0 HG3 GLN A 121 37.052 6.539 3.691 1.00 0.00 H new ATOM 0 HE21 GLN A 121 38.722 7.676 4.747 1.00 0.00 H new ATOM 0 HE22 GLN A 121 40.426 7.264 4.527 1.00 0.00 H new ATOM 1765 N LYS A 122 35.804 6.958 0.445 1.00 0.00 N ATOM 1766 CA LYS A 122 35.882 7.955 -0.617 1.00 0.00 C ATOM 1767 C LYS A 122 37.236 8.658 -0.605 1.00 0.00 C ATOM 1768 O LYS A 122 37.917 8.730 -1.628 1.00 0.00 O ATOM 1769 CB LYS A 122 34.760 8.981 -0.462 1.00 0.00 C ATOM 1770 CG LYS A 122 34.268 9.550 -1.782 1.00 0.00 C ATOM 1771 CD LYS A 122 32.838 9.130 -2.072 1.00 0.00 C ATOM 1772 CE LYS A 122 32.611 8.910 -3.559 1.00 0.00 C ATOM 1773 NZ LYS A 122 33.728 8.150 -4.185 1.00 0.00 N ATOM 0 H LYS A 122 35.339 7.282 1.293 1.00 0.00 H new ATOM 0 HA LYS A 122 35.768 7.443 -1.572 1.00 0.00 H new ATOM 0 HB2 LYS A 122 33.923 8.515 0.058 1.00 0.00 H new ATOM 0 HB3 LYS A 122 35.111 9.798 0.168 1.00 0.00 H new ATOM 0 HG2 LYS A 122 34.330 10.638 -1.756 1.00 0.00 H new ATOM 0 HG3 LYS A 122 34.918 9.213 -2.589 1.00 0.00 H new ATOM 0 HD2 LYS A 122 32.610 8.213 -1.529 1.00 0.00 H new ATOM 0 HD3 LYS A 122 32.152 9.895 -1.708 1.00 0.00 H new ATOM 0 HE2 LYS A 122 31.676 8.369 -3.707 1.00 0.00 H new ATOM 0 HE3 LYS A 122 32.504 9.874 -4.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 33.364 7.594 -4.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 34.452 8.814 -4.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 34.150 7.510 -3.482 1.00 0.00 H new ATOM 1787 N LEU A 123 37.619 9.175 0.559 1.00 0.00 N ATOM 1788 CA LEU A 123 38.892 9.873 0.705 1.00 0.00 C ATOM 1789 C LEU A 123 40.064 8.925 0.471 1.00 0.00 C ATOM 1790 O LEU A 123 39.920 7.707 0.575 1.00 0.00 O ATOM 1791 CB LEU A 123 38.998 10.500 2.095 1.00 0.00 C ATOM 1792 CG LEU A 123 39.593 11.909 2.126 1.00 0.00 C ATOM 1793 CD1 LEU A 123 38.519 12.950 1.851 1.00 0.00 C ATOM 1794 CD2 LEU A 123 40.265 12.174 3.465 1.00 0.00 C ATOM 0 H LEU A 123 37.066 9.124 1.415 1.00 0.00 H new ATOM 0 HA LEU A 123 38.932 10.662 -0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 123 38.003 10.532 2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 123 39.607 9.851 2.724 1.00 0.00 H new ATOM 0 HG LEU A 123 40.347 11.981 1.342 1.00 0.00 H new ATOM 0 HD11 LEU A 123 38.962 13.946 1.877 1.00 0.00 H new ATOM 0 HD12 LEU A 123 38.084 12.773 0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 123 37.741 12.879 2.611 1.00 0.00 H new ATOM 0 HD21 LEU A 123 40.683 13.181 3.470 1.00 0.00 H new ATOM 0 HD22 LEU A 123 39.531 12.082 4.265 1.00 0.00 H new ATOM 0 HD23 LEU A 123 41.064 11.449 3.621 1.00 0.00 H new ATOM 1806 N ILE A 124 41.225 9.491 0.153 1.00 0.00 N ATOM 1807 CA ILE A 124 42.421 8.694 -0.095 1.00 0.00 C ATOM 1808 C ILE A 124 43.118 8.326 1.212 1.00 0.00 C ATOM 1809 O ILE A 124 43.246 9.154 2.114 1.00 0.00 O ATOM 1810 CB ILE A 124 43.414 9.440 -1.011 1.00 0.00 C ATOM 1811 CG1 ILE A 124 44.640 8.569 -1.296 1.00 0.00 C ATOM 1812 CG2 ILE A 124 43.831 10.763 -0.383 1.00 0.00 C ATOM 1813 CD1 ILE A 124 45.081 8.600 -2.743 1.00 0.00 C ATOM 0 H ILE A 124 41.362 10.498 0.061 1.00 0.00 H new ATOM 0 HA ILE A 124 42.097 7.782 -0.596 1.00 0.00 H new ATOM 0 HB ILE A 124 42.916 9.652 -1.957 1.00 0.00 H new ATOM 0 HG12 ILE A 124 45.465 8.901 -0.666 1.00 0.00 H new ATOM 0 HG13 ILE A 124 44.418 7.540 -1.014 1.00 0.00 H new ATOM 0 HG21 ILE A 124 44.531 11.275 -1.043 1.00 0.00 H new ATOM 0 HG22 ILE A 124 42.951 11.388 -0.233 1.00 0.00 H new ATOM 0 HG23 ILE A 124 44.310 10.575 0.578 1.00 0.00 H new ATOM 0 HD11 ILE A 124 45.954 7.960 -2.871 1.00 0.00 H new ATOM 0 HD12 ILE A 124 44.271 8.240 -3.378 1.00 0.00 H new ATOM 0 HD13 ILE A 124 45.335 9.622 -3.024 1.00 0.00 H new ATOM 1825 N SER A 125 43.564 7.077 1.306 1.00 0.00 N ATOM 1826 CA SER A 125 44.247 6.595 2.501 1.00 0.00 C ATOM 1827 C SER A 125 44.980 5.288 2.219 1.00 0.00 C ATOM 1828 O SER A 125 44.486 4.436 1.480 1.00 0.00 O ATOM 1829 CB SER A 125 43.247 6.395 3.641 1.00 0.00 C ATOM 1830 OG SER A 125 43.881 6.520 4.903 1.00 0.00 O ATOM 0 H SER A 125 43.464 6.380 0.568 1.00 0.00 H new ATOM 0 HA SER A 125 44.980 7.346 2.797 1.00 0.00 H new ATOM 0 HB2 SER A 125 42.445 7.129 3.559 1.00 0.00 H new ATOM 0 HB3 SER A 125 42.787 5.410 3.557 1.00 0.00 H new ATOM 0 HG SER A 125 43.221 6.390 5.615 1.00 0.00 H new ATOM 1836 N GLU A 126 46.162 5.140 2.814 1.00 0.00 N ATOM 1837 CA GLU A 126 46.971 3.937 2.632 1.00 0.00 C ATOM 1838 C GLU A 126 47.245 3.678 1.153 1.00 0.00 C ATOM 1839 O GLU A 126 47.450 2.536 0.741 1.00 0.00 O ATOM 1840 CB GLU A 126 46.273 2.724 3.254 1.00 0.00 C ATOM 1841 CG GLU A 126 45.680 2.996 4.627 1.00 0.00 C ATOM 1842 CD GLU A 126 46.724 2.989 5.728 1.00 0.00 C ATOM 1843 OE1 GLU A 126 47.774 2.338 5.547 1.00 0.00 O ATOM 1844 OE2 GLU A 126 46.491 3.637 6.770 1.00 0.00 O ATOM 0 H GLU A 126 46.581 5.839 3.427 1.00 0.00 H new ATOM 0 HA GLU A 126 47.925 4.096 3.136 1.00 0.00 H new ATOM 0 HB2 GLU A 126 45.480 2.390 2.585 1.00 0.00 H new ATOM 0 HB3 GLU A 126 46.988 1.906 3.333 1.00 0.00 H new ATOM 0 HG2 GLU A 126 45.176 3.963 4.616 1.00 0.00 H new ATOM 0 HG3 GLU A 126 44.922 2.244 4.846 1.00 0.00 H new ATOM 1851 N GLU A 127 47.247 4.746 0.360 1.00 0.00 N ATOM 1852 CA GLU A 127 47.496 4.635 -1.073 1.00 0.00 C ATOM 1853 C GLU A 127 48.603 5.590 -1.507 1.00 0.00 C ATOM 1854 O GLU A 127 48.834 5.789 -2.699 1.00 0.00 O ATOM 1855 CB GLU A 127 46.217 4.927 -1.859 1.00 0.00 C ATOM 1856 CG GLU A 127 45.105 3.921 -1.608 1.00 0.00 C ATOM 1857 CD GLU A 127 43.898 4.148 -2.499 1.00 0.00 C ATOM 1858 OE1 GLU A 127 43.788 5.247 -3.084 1.00 0.00 O ATOM 1859 OE2 GLU A 127 43.062 3.227 -2.610 1.00 0.00 O ATOM 0 H GLU A 127 47.079 5.698 0.686 1.00 0.00 H new ATOM 0 HA GLU A 127 47.817 3.615 -1.283 1.00 0.00 H new ATOM 0 HB2 GLU A 127 45.860 5.923 -1.598 1.00 0.00 H new ATOM 0 HB3 GLU A 127 46.450 4.940 -2.924 1.00 0.00 H new ATOM 0 HG2 GLU A 127 45.488 2.914 -1.772 1.00 0.00 H new ATOM 0 HG3 GLU A 127 44.797 3.979 -0.564 1.00 0.00 H new ATOM 1866 N ASP A 128 49.283 6.179 -0.528 1.00 0.00 N ATOM 1867 CA ASP A 128 50.366 7.115 -0.805 1.00 0.00 C ATOM 1868 C ASP A 128 51.429 7.058 0.288 1.00 0.00 C ATOM 1869 O ASP A 128 51.383 7.819 1.255 1.00 0.00 O ATOM 1870 CB ASP A 128 49.817 8.538 -0.927 1.00 0.00 C ATOM 1871 CG ASP A 128 48.712 8.823 0.073 1.00 0.00 C ATOM 1872 OD1 ASP A 128 48.734 8.227 1.171 1.00 0.00 O ATOM 1873 OD2 ASP A 128 47.824 9.643 -0.242 1.00 0.00 O ATOM 0 H ASP A 128 49.103 6.024 0.464 1.00 0.00 H new ATOM 0 HA ASP A 128 50.829 6.829 -1.749 1.00 0.00 H new ATOM 0 HB2 ASP A 128 50.628 9.251 -0.780 1.00 0.00 H new ATOM 0 HB3 ASP A 128 49.437 8.692 -1.937 1.00 0.00 H new ATOM 1878 N LEU A 129 52.387 6.151 0.125 1.00 0.00 N ATOM 1879 CA LEU A 129 53.464 5.991 1.095 1.00 0.00 C ATOM 1880 C LEU A 129 54.821 5.955 0.400 1.00 0.00 C ATOM 1881 O LEU A 129 55.482 6.982 0.252 1.00 0.00 O ATOM 1882 CB LEU A 129 53.256 4.713 1.913 1.00 0.00 C ATOM 1883 CG LEU A 129 53.568 4.832 3.408 1.00 0.00 C ATOM 1884 CD1 LEU A 129 55.052 5.078 3.628 1.00 0.00 C ATOM 1885 CD2 LEU A 129 52.739 5.940 4.042 1.00 0.00 C ATOM 0 H LEU A 129 52.439 5.515 -0.671 1.00 0.00 H new ATOM 0 HA LEU A 129 53.446 6.849 1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 129 52.220 4.394 1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 129 53.880 3.926 1.490 1.00 0.00 H new ATOM 0 HG LEU A 129 53.304 3.890 3.889 1.00 0.00 H new ATOM 0 HD11 LEU A 129 55.253 5.160 4.696 1.00 0.00 H new ATOM 0 HD12 LEU A 129 55.624 4.248 3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 129 55.345 6.003 3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 129 52.975 6.009 5.104 1.00 0.00 H new ATOM 0 HD22 LEU A 129 52.968 6.889 3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 129 51.679 5.717 3.920 1.00 0.00 H new ATOM 1897 N ASN A 130 55.233 4.763 -0.025 1.00 0.00 N ATOM 1898 CA ASN A 130 56.512 4.592 -0.703 1.00 0.00 C ATOM 1899 C ASN A 130 56.528 3.306 -1.523 1.00 0.00 C ATOM 1900 O ASN A 130 56.114 2.249 -1.046 1.00 0.00 O ATOM 1901 CB ASN A 130 57.654 4.574 0.315 1.00 0.00 C ATOM 1902 CG ASN A 130 58.970 5.031 -0.282 1.00 0.00 C ATOM 1903 OD1 ASN A 130 59.023 5.493 -1.422 1.00 0.00 O ATOM 1904 ND2 ASN A 130 60.044 4.903 0.488 1.00 0.00 N ATOM 0 H ASN A 130 54.698 3.902 0.089 1.00 0.00 H new ATOM 0 HA ASN A 130 56.650 5.435 -1.380 1.00 0.00 H new ATOM 0 HB2 ASN A 130 57.397 5.218 1.156 1.00 0.00 H new ATOM 0 HB3 ASN A 130 57.769 3.565 0.710 1.00 0.00 H new ATOM 0 HD21 ASN A 130 60.958 5.193 0.140 1.00 0.00 H new ATOM 0 HD22 ASN A 130 59.955 4.515 1.427 1.00 0.00 H new ATOM 1911 N HIS A 131 57.011 3.404 -2.758 1.00 0.00 N ATOM 1912 CA HIS A 131 57.086 2.249 -3.647 1.00 0.00 C ATOM 1913 C HIS A 131 57.961 2.556 -4.859 1.00 0.00 C ATOM 1914 O HIS A 131 57.924 1.839 -5.860 1.00 0.00 O ATOM 1915 CB HIS A 131 55.686 1.831 -4.102 1.00 0.00 C ATOM 1916 CG HIS A 131 54.816 2.980 -4.507 1.00 0.00 C ATOM 1917 ND1 HIS A 131 55.308 4.133 -5.082 1.00 0.00 N ATOM 1918 CD2 HIS A 131 53.475 3.149 -4.419 1.00 0.00 C ATOM 1919 CE1 HIS A 131 54.309 4.960 -5.330 1.00 0.00 C ATOM 1920 NE2 HIS A 131 53.186 4.388 -4.938 1.00 0.00 N ATOM 0 H HIS A 131 57.357 4.272 -3.166 1.00 0.00 H new ATOM 0 HA HIS A 131 57.536 1.425 -3.094 1.00 0.00 H new ATOM 0 HB2 HIS A 131 55.777 1.142 -4.942 1.00 0.00 H new ATOM 0 HB3 HIS A 131 55.199 1.285 -3.294 1.00 0.00 H new ATOM 0 HD2 HIS A 131 52.765 2.442 -4.016 1.00 0.00 H new ATOM 0 HE1 HIS A 131 54.396 5.939 -5.778 1.00 0.00 H new ATOM 0 HE2 HIS A 131 52.255 4.799 -5.009 1.00 0.00 H new ATOM 1929 N HIS A 132 58.747 3.623 -4.760 1.00 0.00 N ATOM 1930 CA HIS A 132 59.634 4.025 -5.845 1.00 0.00 C ATOM 1931 C HIS A 132 61.057 4.235 -5.337 1.00 0.00 C ATOM 1932 O HIS A 132 61.922 3.378 -5.514 1.00 0.00 O ATOM 1933 CB HIS A 132 59.120 5.305 -6.507 1.00 0.00 C ATOM 1934 CG HIS A 132 59.048 5.222 -7.999 1.00 0.00 C ATOM 1935 ND1 HIS A 132 60.166 5.140 -8.803 1.00 0.00 N ATOM 1936 CD2 HIS A 132 57.983 5.207 -8.836 1.00 0.00 C ATOM 1937 CE1 HIS A 132 59.793 5.079 -10.069 1.00 0.00 C ATOM 1938 NE2 HIS A 132 58.474 5.118 -10.116 1.00 0.00 N ATOM 0 H HIS A 132 58.788 4.226 -3.938 1.00 0.00 H new ATOM 0 HA HIS A 132 59.647 3.224 -6.584 1.00 0.00 H new ATOM 0 HB2 HIS A 132 58.128 5.533 -6.116 1.00 0.00 H new ATOM 0 HB3 HIS A 132 59.771 6.134 -6.229 1.00 0.00 H new ATOM 0 HD2 HIS A 132 56.943 5.256 -8.550 1.00 0.00 H new ATOM 0 HE1 HIS A 132 60.454 5.009 -10.920 1.00 0.00 H new ATOM 0 HE2 HIS A 132 57.910 5.087 -10.966 1.00 0.00 H new ATOM 1947 N HIS A 133 61.291 5.382 -4.704 1.00 0.00 N ATOM 1948 CA HIS A 133 62.610 5.704 -4.169 1.00 0.00 C ATOM 1949 C HIS A 133 62.510 6.749 -3.062 1.00 0.00 C ATOM 1950 O HIS A 133 63.497 7.048 -2.391 1.00 0.00 O ATOM 1951 CB HIS A 133 63.525 6.212 -5.287 1.00 0.00 C ATOM 1952 CG HIS A 133 63.103 7.531 -5.857 1.00 0.00 C ATOM 1953 ND1 HIS A 133 61.786 7.935 -5.924 1.00 0.00 N ATOM 1954 CD2 HIS A 133 63.832 8.542 -6.386 1.00 0.00 C ATOM 1955 CE1 HIS A 133 61.725 9.137 -6.471 1.00 0.00 C ATOM 1956 NE2 HIS A 133 62.952 9.526 -6.760 1.00 0.00 N ATOM 0 H HIS A 133 60.585 6.102 -4.550 1.00 0.00 H new ATOM 0 HA HIS A 133 63.035 4.794 -3.745 1.00 0.00 H new ATOM 0 HB2 HIS A 133 64.541 6.301 -4.901 1.00 0.00 H new ATOM 0 HB3 HIS A 133 63.552 5.472 -6.087 1.00 0.00 H new ATOM 0 HD2 HIS A 133 64.906 8.569 -6.494 1.00 0.00 H new ATOM 0 HE1 HIS A 133 60.824 9.704 -6.651 1.00 0.00 H new ATOM 0 HE2 HIS A 133 63.206 10.415 -7.192 1.00 0.00 H new ATOM 1965 N HIS A 134 61.311 7.301 -2.882 1.00 0.00 N ATOM 1966 CA HIS A 134 61.072 8.318 -1.860 1.00 0.00 C ATOM 1967 C HIS A 134 61.917 9.563 -2.119 1.00 0.00 C ATOM 1968 O HIS A 134 61.464 10.505 -2.769 1.00 0.00 O ATOM 1969 CB HIS A 134 61.368 7.758 -0.465 1.00 0.00 C ATOM 1970 CG HIS A 134 60.859 8.620 0.648 1.00 0.00 C ATOM 1971 ND1 HIS A 134 61.671 9.458 1.385 1.00 0.00 N ATOM 1972 CD2 HIS A 134 59.610 8.771 1.150 1.00 0.00 C ATOM 1973 CE1 HIS A 134 60.943 10.086 2.293 1.00 0.00 C ATOM 1974 NE2 HIS A 134 59.691 9.687 2.171 1.00 0.00 N ATOM 0 H HIS A 134 60.487 7.060 -3.433 1.00 0.00 H new ATOM 0 HA HIS A 134 60.021 8.602 -1.908 1.00 0.00 H new ATOM 0 HB2 HIS A 134 60.922 6.767 -0.379 1.00 0.00 H new ATOM 0 HB3 HIS A 134 62.445 7.634 -0.354 1.00 0.00 H new ATOM 0 HD2 HIS A 134 58.718 8.266 0.811 1.00 0.00 H new ATOM 0 HE1 HIS A 134 61.310 10.803 3.012 1.00 0.00 H new ATOM 0 HE2 HIS A 134 58.909 10.007 2.743 1.00 0.00 H new ATOM 1983 N HIS A 135 63.146 9.562 -1.609 1.00 0.00 N ATOM 1984 CA HIS A 135 64.049 10.694 -1.789 1.00 0.00 C ATOM 1985 C HIS A 135 65.423 10.224 -2.255 1.00 0.00 C ATOM 1986 O HIS A 135 65.953 10.814 -3.221 1.00 0.00 O ATOM 1987 CB HIS A 135 64.182 11.482 -0.485 1.00 0.00 C ATOM 1988 CG HIS A 135 63.355 12.728 -0.453 1.00 0.00 C ATOM 1989 ND1 HIS A 135 63.902 13.994 -0.434 1.00 0.00 N ATOM 1990 CD2 HIS A 135 62.012 12.901 -0.437 1.00 0.00 C ATOM 1991 CE1 HIS A 135 62.932 14.891 -0.408 1.00 0.00 C ATOM 1992 NE2 HIS A 135 61.776 14.254 -0.410 1.00 0.00 N ATOM 1993 OXT HIS A 135 65.958 9.271 -1.651 1.00 0.00 O ATOM 0 H HIS A 135 63.538 8.791 -1.069 1.00 0.00 H new ATOM 0 HA HIS A 135 63.627 11.344 -2.555 1.00 0.00 H new ATOM 0 HB2 HIS A 135 63.892 10.842 0.348 1.00 0.00 H new ATOM 0 HB3 HIS A 135 65.229 11.746 -0.335 1.00 0.00 H new ATOM 0 HD2 HIS A 135 61.265 12.121 -0.444 1.00 0.00 H new ATOM 0 HE1 HIS A 135 63.063 15.963 -0.388 1.00 0.00 H new ATOM 0 HE2 HIS A 135 60.856 14.695 -0.394 1.00 0.00 H new TER 2002 HIS A 135