USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 765 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 93 GLN : amide:sc= -1.66 K(o=-1.7,f=-3.9!) USER MOD Set 1.2: A 95 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 76 THR OG1 : rot -54:sc= 0.534 USER MOD Set 2.2: A 79 ASN : amide:sc= -1.05! K(o=-0.52!,f=-3.4) USER MOD Set 3.1: A 28 SER OG : rot -94:sc= 0.145 USER MOD Set 3.2: A 67 HIS : no HD1:sc= -0.246 K(o=-0.1,f=-4.2!) USER MOD Set 4.1: A 42 ASN : amide:sc= 1.16 K(o=1.9,f=-4.9!) USER MOD Set 4.2: A 82 ASN : amide:sc= 0.693 K(o=1.9,f=0.51) USER MOD Set 5.1: A 20 MET CE :methyl -135:sc= 0 (180deg=-0.392) USER MOD Set 5.2: A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 ASP N :NH3+ -176:sc= 1.25 (180deg=1.22) USER MOD Single : A 7 SER OG : rot 70:sc= 1.2 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.346 X(o=-0.35,f=0.08) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0144 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 32 GLN : amide:sc= 0.127 K(o=0.13,f=-0.42) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.115 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0306 USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-2.2) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -1.28 K(o=-1.3,f=-3.1!) USER MOD Single : A 83 TYR OH : rot -157:sc= 1.21 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -1.71! C(o=-1.7!,f=-7.2!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 MET CE :methyl -164:sc= -0.0757 (180deg=-0.444) USER MOD Single : A 105 ASN : amide:sc= -0.35 K(o=-0.35,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -28.584 -5.189 -7.365 1.00 6.98 N ATOM 2 CA ASP A 1 -28.593 -3.723 -7.480 1.00 6.54 C ATOM 3 C ASP A 1 -28.887 -3.136 -6.135 1.00 5.59 C ATOM 4 O ASP A 1 -29.523 -3.786 -5.300 1.00 5.69 O ATOM 5 CB ASP A 1 -29.646 -3.223 -8.488 1.00 7.27 C ATOM 6 CG ASP A 1 -31.068 -3.428 -8.020 1.00 7.61 C ATOM 7 OD1 ASP A 1 -31.611 -4.545 -8.151 1.00 7.83 O ATOM 8 OD2 ASP A 1 -31.671 -2.474 -7.514 1.00 7.93 O ATOM 0 H1 ASP A 1 -28.314 -5.607 -8.278 1.00 6.98 H new ATOM 0 H2 ASP A 1 -27.899 -5.476 -6.637 1.00 6.98 H new ATOM 0 H3 ASP A 1 -29.533 -5.522 -7.099 1.00 6.98 H new ATOM 0 HA ASP A 1 -27.614 -3.409 -7.842 1.00 6.54 H new ATOM 0 HB2 ASP A 1 -29.483 -2.162 -8.677 1.00 7.27 H new ATOM 0 HB3 ASP A 1 -29.505 -3.741 -9.437 1.00 7.27 H new ATOM 15 N ASP A 2 -28.384 -1.926 -5.923 1.00 5.04 N ATOM 16 CA ASP A 2 -28.523 -1.150 -4.678 1.00 4.46 C ATOM 17 C ASP A 2 -27.727 -1.809 -3.553 1.00 3.67 C ATOM 18 O ASP A 2 -27.880 -1.514 -2.361 1.00 3.69 O ATOM 19 CB ASP A 2 -29.988 -0.926 -4.297 1.00 5.12 C ATOM 20 CG ASP A 2 -30.159 0.227 -3.349 1.00 5.72 C ATOM 21 OD1 ASP A 2 -30.484 -0.024 -2.162 1.00 6.17 O ATOM 22 OD2 ASP A 2 -29.918 1.383 -3.736 1.00 6.07 O ATOM 0 H ASP A 2 -27.846 -1.432 -6.635 1.00 5.04 H new ATOM 0 HA ASP A 2 -28.105 -0.158 -4.850 1.00 4.46 H new ATOM 0 HB2 ASP A 2 -30.572 -0.742 -5.199 1.00 5.12 H new ATOM 0 HB3 ASP A 2 -30.385 -1.832 -3.839 1.00 5.12 H new ATOM 27 N ASP A 3 -26.821 -2.669 -3.971 1.00 3.50 N ATOM 28 CA ASP A 3 -25.918 -3.383 -3.087 1.00 3.44 C ATOM 29 C ASP A 3 -24.791 -2.441 -2.733 1.00 2.86 C ATOM 30 O ASP A 3 -24.086 -2.601 -1.749 1.00 3.35 O ATOM 31 CB ASP A 3 -25.338 -4.624 -3.797 1.00 4.23 C ATOM 32 CG ASP A 3 -26.367 -5.666 -4.182 1.00 4.91 C ATOM 33 OD1 ASP A 3 -26.855 -5.659 -5.348 1.00 5.43 O ATOM 34 OD2 ASP A 3 -26.697 -6.537 -3.351 1.00 5.26 O ATOM 0 H ASP A 3 -26.688 -2.897 -4.956 1.00 3.50 H new ATOM 0 HA ASP A 3 -26.451 -3.715 -2.196 1.00 3.44 H new ATOM 0 HB2 ASP A 3 -24.813 -4.300 -4.696 1.00 4.23 H new ATOM 0 HB3 ASP A 3 -24.597 -5.087 -3.145 1.00 4.23 H new ATOM 39 N ASP A 4 -24.662 -1.430 -3.556 1.00 2.36 N ATOM 40 CA ASP A 4 -23.663 -0.386 -3.417 1.00 2.24 C ATOM 41 C ASP A 4 -24.011 0.560 -2.262 1.00 1.92 C ATOM 42 O ASP A 4 -23.159 1.303 -1.764 1.00 2.04 O ATOM 43 CB ASP A 4 -23.580 0.394 -4.734 1.00 2.71 C ATOM 44 CG ASP A 4 -22.541 1.488 -4.731 1.00 3.25 C ATOM 45 OD1 ASP A 4 -21.332 1.179 -4.851 1.00 3.54 O ATOM 46 OD2 ASP A 4 -22.917 2.666 -4.580 1.00 3.87 O ATOM 0 H ASP A 4 -25.266 -1.302 -4.368 1.00 2.36 H new ATOM 0 HA ASP A 4 -22.699 -0.841 -3.191 1.00 2.24 H new ATOM 0 HB2 ASP A 4 -23.359 -0.301 -5.544 1.00 2.71 H new ATOM 0 HB3 ASP A 4 -24.555 0.832 -4.947 1.00 2.71 H new ATOM 51 N ASP A 5 -25.255 0.498 -1.801 1.00 1.78 N ATOM 52 CA ASP A 5 -25.740 1.415 -0.756 1.00 1.68 C ATOM 53 C ASP A 5 -25.091 1.152 0.604 1.00 1.53 C ATOM 54 O ASP A 5 -25.072 2.036 1.460 1.00 1.50 O ATOM 55 CB ASP A 5 -27.268 1.390 -0.634 1.00 1.90 C ATOM 56 CG ASP A 5 -27.787 2.438 0.342 1.00 2.14 C ATOM 57 OD1 ASP A 5 -28.211 2.065 1.459 1.00 2.55 O ATOM 58 OD2 ASP A 5 -27.783 3.639 0.018 1.00 2.43 O ATOM 0 H ASP A 5 -25.950 -0.173 -2.128 1.00 1.78 H new ATOM 0 HA ASP A 5 -25.441 2.413 -1.075 1.00 1.68 H new ATOM 0 HB2 ASP A 5 -27.711 1.559 -1.615 1.00 1.90 H new ATOM 0 HB3 ASP A 5 -27.588 0.401 -0.306 1.00 1.90 H new ATOM 63 N VAL A 6 -24.529 -0.048 0.788 1.00 1.54 N ATOM 64 CA VAL A 6 -23.849 -0.394 2.011 1.00 1.49 C ATOM 65 C VAL A 6 -22.589 0.426 2.107 1.00 1.25 C ATOM 66 O VAL A 6 -21.561 0.166 1.474 1.00 1.34 O ATOM 67 CB VAL A 6 -23.585 -1.925 2.178 1.00 1.77 C ATOM 68 CG1 VAL A 6 -24.879 -2.670 2.307 1.00 2.08 C ATOM 69 CG2 VAL A 6 -22.760 -2.516 1.055 1.00 1.94 C ATOM 0 H VAL A 6 -24.540 -0.792 0.090 1.00 1.54 H new ATOM 0 HA VAL A 6 -24.507 -0.153 2.846 1.00 1.49 H new ATOM 0 HB VAL A 6 -23.001 -2.036 3.092 1.00 1.77 H new ATOM 0 HG11 VAL A 6 -24.676 -3.735 2.422 1.00 2.08 H new ATOM 0 HG12 VAL A 6 -25.422 -2.307 3.180 1.00 2.08 H new ATOM 0 HG13 VAL A 6 -25.481 -2.510 1.413 1.00 2.08 H new ATOM 0 HG21 VAL A 6 -22.614 -3.581 1.233 1.00 1.94 H new ATOM 0 HG22 VAL A 6 -23.280 -2.374 0.108 1.00 1.94 H new ATOM 0 HG23 VAL A 6 -21.791 -2.019 1.015 1.00 1.94 H new ATOM 79 N SER A 7 -22.694 1.438 2.852 1.00 1.06 N ATOM 80 CA SER A 7 -21.720 2.417 2.871 1.00 0.91 C ATOM 81 C SER A 7 -20.744 2.276 3.998 1.00 0.81 C ATOM 82 O SER A 7 -21.005 2.634 5.156 1.00 0.91 O ATOM 83 CB SER A 7 -22.415 3.743 2.828 1.00 1.01 C ATOM 84 OG SER A 7 -23.065 3.912 1.576 1.00 1.58 O ATOM 0 H SER A 7 -23.480 1.609 3.479 1.00 1.06 H new ATOM 0 HA SER A 7 -21.081 2.315 1.994 1.00 0.91 H new ATOM 0 HB2 SER A 7 -23.143 3.807 3.636 1.00 1.01 H new ATOM 0 HB3 SER A 7 -21.694 4.546 2.984 1.00 1.01 H new ATOM 0 HG SER A 7 -23.830 3.302 1.519 1.00 1.58 H new ATOM 90 N PHE A 8 -19.640 1.703 3.639 1.00 0.75 N ATOM 91 CA PHE A 8 -18.485 1.607 4.459 1.00 0.70 C ATOM 92 C PHE A 8 -17.477 2.550 3.865 1.00 0.53 C ATOM 93 O PHE A 8 -17.184 2.464 2.669 1.00 0.54 O ATOM 94 CB PHE A 8 -17.930 0.181 4.434 1.00 0.85 C ATOM 95 CG PHE A 8 -18.868 -0.852 4.964 1.00 0.77 C ATOM 96 CD1 PHE A 8 -19.792 -1.460 4.137 1.00 0.88 C ATOM 97 CD2 PHE A 8 -18.821 -1.220 6.286 1.00 1.01 C ATOM 98 CE1 PHE A 8 -20.653 -2.409 4.621 1.00 0.85 C ATOM 99 CE2 PHE A 8 -19.678 -2.170 6.780 1.00 1.19 C ATOM 100 CZ PHE A 8 -20.598 -2.764 5.942 1.00 0.96 C ATOM 0 H PHE A 8 -19.518 1.271 2.723 1.00 0.75 H new ATOM 0 HA PHE A 8 -18.715 1.855 5.495 1.00 0.70 H new ATOM 0 HB2 PHE A 8 -17.667 -0.076 3.408 1.00 0.85 H new ATOM 0 HB3 PHE A 8 -17.009 0.152 5.016 1.00 0.85 H new ATOM 0 HD1 PHE A 8 -19.836 -1.183 3.094 1.00 0.88 H new ATOM 0 HD2 PHE A 8 -18.101 -0.756 6.944 1.00 1.01 H new ATOM 0 HE1 PHE A 8 -21.372 -2.875 3.963 1.00 0.85 H new ATOM 0 HE2 PHE A 8 -19.632 -2.452 7.822 1.00 1.19 H new ATOM 0 HZ PHE A 8 -21.276 -3.510 6.328 1.00 0.96 H new ATOM 110 N CYS A 9 -16.960 3.425 4.655 1.00 0.49 N ATOM 111 CA CYS A 9 -16.029 4.418 4.179 1.00 0.44 C ATOM 112 C CYS A 9 -14.654 3.759 4.162 1.00 0.37 C ATOM 113 O CYS A 9 -14.515 2.637 4.635 1.00 0.40 O ATOM 114 CB CYS A 9 -16.067 5.614 5.140 1.00 0.62 C ATOM 115 SG CYS A 9 -15.362 7.153 4.469 1.00 1.32 S ATOM 0 H CYS A 9 -17.164 3.482 5.653 1.00 0.49 H new ATOM 0 HA CYS A 9 -16.274 4.779 3.180 1.00 0.44 H new ATOM 0 HB2 CYS A 9 -17.102 5.799 5.427 1.00 0.62 H new ATOM 0 HB3 CYS A 9 -15.527 5.349 6.049 1.00 0.62 H new ATOM 120 N ALA A 10 -13.643 4.417 3.657 1.00 0.35 N ATOM 121 CA ALA A 10 -12.371 3.749 3.529 1.00 0.35 C ATOM 122 C ALA A 10 -11.517 4.022 4.717 1.00 0.29 C ATOM 123 O ALA A 10 -11.388 5.161 5.154 1.00 0.34 O ATOM 124 CB ALA A 10 -11.632 4.152 2.258 1.00 0.45 C ATOM 0 H ALA A 10 -13.669 5.385 3.336 1.00 0.35 H new ATOM 0 HA ALA A 10 -12.578 2.681 3.467 1.00 0.35 H new ATOM 0 HB1 ALA A 10 -10.680 3.623 2.207 1.00 0.45 H new ATOM 0 HB2 ALA A 10 -12.237 3.895 1.388 1.00 0.45 H new ATOM 0 HB3 ALA A 10 -11.449 5.227 2.269 1.00 0.45 H new ATOM 130 N SER A 11 -11.008 2.981 5.276 1.00 0.27 N ATOM 131 CA SER A 11 -10.095 3.058 6.362 1.00 0.27 C ATOM 132 C SER A 11 -8.814 2.350 5.944 1.00 0.23 C ATOM 133 O SER A 11 -8.865 1.287 5.320 1.00 0.25 O ATOM 134 CB SER A 11 -10.727 2.439 7.602 1.00 0.37 C ATOM 135 OG SER A 11 -11.951 3.112 7.902 1.00 1.19 O ATOM 0 H SER A 11 -11.221 2.027 4.983 1.00 0.27 H new ATOM 0 HA SER A 11 -9.854 4.091 6.613 1.00 0.27 H new ATOM 0 HB2 SER A 11 -10.915 1.378 7.436 1.00 0.37 H new ATOM 0 HB3 SER A 11 -10.043 2.513 8.447 1.00 0.37 H new ATOM 0 HG SER A 11 -12.358 2.712 8.699 1.00 1.19 H new ATOM 141 N VAL A 12 -7.687 2.953 6.236 1.00 0.23 N ATOM 142 CA VAL A 12 -6.413 2.441 5.784 1.00 0.22 C ATOM 143 C VAL A 12 -5.545 2.018 6.960 1.00 0.24 C ATOM 144 O VAL A 12 -5.283 2.804 7.869 1.00 0.29 O ATOM 145 CB VAL A 12 -5.665 3.507 4.924 1.00 0.23 C ATOM 146 CG1 VAL A 12 -4.307 3.026 4.525 1.00 0.24 C ATOM 147 CG2 VAL A 12 -6.439 3.824 3.676 1.00 0.27 C ATOM 0 H VAL A 12 -7.625 3.807 6.790 1.00 0.23 H new ATOM 0 HA VAL A 12 -6.608 1.564 5.167 1.00 0.22 H new ATOM 0 HB VAL A 12 -5.568 4.401 5.540 1.00 0.23 H new ATOM 0 HG11 VAL A 12 -3.811 3.791 3.927 1.00 0.24 H new ATOM 0 HG12 VAL A 12 -3.716 2.824 5.418 1.00 0.24 H new ATOM 0 HG13 VAL A 12 -4.402 2.112 3.939 1.00 0.24 H new ATOM 0 HG21 VAL A 12 -5.899 4.569 3.092 1.00 0.27 H new ATOM 0 HG22 VAL A 12 -6.561 2.917 3.083 1.00 0.27 H new ATOM 0 HG23 VAL A 12 -7.420 4.216 3.946 1.00 0.27 H new ATOM 157 N GLN A 13 -5.140 0.787 6.941 1.00 0.24 N ATOM 158 CA GLN A 13 -4.264 0.236 7.927 1.00 0.29 C ATOM 159 C GLN A 13 -2.962 -0.137 7.252 1.00 0.26 C ATOM 160 O GLN A 13 -2.963 -0.640 6.118 1.00 0.32 O ATOM 161 CB GLN A 13 -4.859 -1.026 8.553 1.00 0.40 C ATOM 162 CG GLN A 13 -6.238 -0.857 9.153 1.00 0.68 C ATOM 163 CD GLN A 13 -6.735 -2.139 9.786 1.00 1.43 C ATOM 164 OE1 GLN A 13 -7.367 -2.975 9.133 1.00 2.18 O ATOM 165 NE2 GLN A 13 -6.439 -2.319 11.044 1.00 2.06 N ATOM 0 H GLN A 13 -5.417 0.120 6.221 1.00 0.24 H new ATOM 0 HA GLN A 13 -4.111 0.977 8.712 1.00 0.29 H new ATOM 0 HB2 GLN A 13 -4.904 -1.804 7.791 1.00 0.40 H new ATOM 0 HB3 GLN A 13 -4.182 -1.381 9.331 1.00 0.40 H new ATOM 0 HG2 GLN A 13 -6.214 -0.066 9.903 1.00 0.68 H new ATOM 0 HG3 GLN A 13 -6.936 -0.540 8.378 1.00 0.68 H new ATOM 0 HE21 GLN A 13 -5.915 -1.606 11.552 1.00 2.06 H new ATOM 0 HE22 GLN A 13 -6.731 -3.173 11.520 1.00 2.06 H new ATOM 174 N LEU A 14 -1.881 0.120 7.914 1.00 0.28 N ATOM 175 CA LEU A 14 -0.569 -0.238 7.435 1.00 0.25 C ATOM 176 C LEU A 14 0.177 -0.965 8.521 1.00 0.25 C ATOM 177 O LEU A 14 -0.165 -0.844 9.698 1.00 0.33 O ATOM 178 CB LEU A 14 0.198 0.992 6.928 1.00 0.24 C ATOM 179 CG LEU A 14 -0.198 1.480 5.530 1.00 0.24 C ATOM 180 CD1 LEU A 14 0.370 2.840 5.265 1.00 0.23 C ATOM 181 CD2 LEU A 14 0.351 0.537 4.493 1.00 0.25 C ATOM 0 H LEU A 14 -1.876 0.592 8.818 1.00 0.28 H new ATOM 0 HA LEU A 14 -0.670 -0.907 6.580 1.00 0.25 H new ATOM 0 HB2 LEU A 14 0.051 1.808 7.635 1.00 0.24 H new ATOM 0 HB3 LEU A 14 1.263 0.760 6.926 1.00 0.24 H new ATOM 0 HG LEU A 14 -1.286 1.520 5.480 1.00 0.24 H new ATOM 0 HD11 LEU A 14 0.078 3.168 4.268 1.00 0.23 H new ATOM 0 HD12 LEU A 14 -0.011 3.544 6.005 1.00 0.23 H new ATOM 0 HD13 LEU A 14 1.457 2.799 5.329 1.00 0.23 H new ATOM 0 HD21 LEU A 14 0.069 0.885 3.499 1.00 0.25 H new ATOM 0 HD22 LEU A 14 1.438 0.503 4.571 1.00 0.25 H new ATOM 0 HD23 LEU A 14 -0.056 -0.461 4.657 1.00 0.25 H new ATOM 193 N HIS A 15 1.148 -1.745 8.141 1.00 0.21 N ATOM 194 CA HIS A 15 1.912 -2.546 9.080 1.00 0.24 C ATOM 195 C HIS A 15 3.370 -2.326 8.805 1.00 0.21 C ATOM 196 O HIS A 15 3.763 -2.141 7.650 1.00 0.22 O ATOM 197 CB HIS A 15 1.620 -4.064 8.901 1.00 0.34 C ATOM 198 CG HIS A 15 0.239 -4.547 9.272 1.00 0.54 C ATOM 199 ND1 HIS A 15 -0.183 -5.843 9.052 1.00 0.92 N ATOM 200 CD2 HIS A 15 -0.809 -3.918 9.850 1.00 0.62 C ATOM 201 CE1 HIS A 15 -1.421 -5.979 9.476 1.00 1.03 C ATOM 202 NE2 HIS A 15 -1.819 -4.833 9.962 1.00 0.83 N ATOM 0 H HIS A 15 1.440 -1.850 7.170 1.00 0.21 H new ATOM 0 HA HIS A 15 1.636 -2.249 10.092 1.00 0.24 H new ATOM 0 HB2 HIS A 15 1.800 -4.322 7.857 1.00 0.34 H new ATOM 0 HB3 HIS A 15 2.344 -4.620 9.496 1.00 0.34 H new ATOM 0 HD2 HIS A 15 -0.842 -2.885 10.165 1.00 0.62 H new ATOM 0 HE1 HIS A 15 -2.009 -6.884 9.430 1.00 1.03 H new ATOM 0 HE2 HIS A 15 -2.739 -4.650 10.362 1.00 0.83 H new ATOM 211 N THR A 16 4.146 -2.298 9.872 1.00 0.26 N ATOM 212 CA THR A 16 5.581 -2.131 9.827 1.00 0.29 C ATOM 213 C THR A 16 6.203 -3.236 8.965 1.00 0.25 C ATOM 214 O THR A 16 5.814 -4.418 9.079 1.00 0.27 O ATOM 215 CB THR A 16 6.136 -2.205 11.266 1.00 0.38 C ATOM 216 OG1 THR A 16 5.366 -1.314 12.108 1.00 0.49 O ATOM 217 CG2 THR A 16 7.598 -1.778 11.309 1.00 0.47 C ATOM 0 H THR A 16 3.782 -2.394 10.820 1.00 0.26 H new ATOM 0 HA THR A 16 5.830 -1.165 9.389 1.00 0.29 H new ATOM 0 HB THR A 16 6.062 -3.234 11.617 1.00 0.38 H new ATOM 0 HG1 THR A 16 5.708 -1.354 13.025 1.00 0.49 H new ATOM 0 HG21 THR A 16 7.965 -1.839 12.334 1.00 0.47 H new ATOM 0 HG22 THR A 16 8.188 -2.437 10.672 1.00 0.47 H new ATOM 0 HG23 THR A 16 7.688 -0.752 10.952 1.00 0.47 H new ATOM 225 N ALA A 17 7.122 -2.837 8.092 1.00 0.28 N ATOM 226 CA ALA A 17 7.771 -3.738 7.169 1.00 0.30 C ATOM 227 C ALA A 17 8.599 -4.762 7.916 1.00 0.35 C ATOM 228 O ALA A 17 9.258 -4.432 8.892 1.00 0.40 O ATOM 229 CB ALA A 17 8.637 -2.952 6.198 1.00 0.37 C ATOM 0 H ALA A 17 7.434 -1.869 8.011 1.00 0.28 H new ATOM 0 HA ALA A 17 7.007 -4.270 6.603 1.00 0.30 H new ATOM 0 HB1 ALA A 17 9.123 -3.639 5.505 1.00 0.37 H new ATOM 0 HB2 ALA A 17 8.015 -2.253 5.639 1.00 0.37 H new ATOM 0 HB3 ALA A 17 9.395 -2.399 6.752 1.00 0.37 H new ATOM 235 N VAL A 18 8.566 -5.981 7.458 1.00 0.38 N ATOM 236 CA VAL A 18 9.262 -7.058 8.132 1.00 0.48 C ATOM 237 C VAL A 18 10.672 -7.251 7.574 1.00 0.56 C ATOM 238 O VAL A 18 10.885 -7.223 6.349 1.00 0.52 O ATOM 239 CB VAL A 18 8.454 -8.388 8.086 1.00 0.54 C ATOM 240 CG1 VAL A 18 7.150 -8.230 8.848 1.00 0.57 C ATOM 241 CG2 VAL A 18 8.162 -8.821 6.653 1.00 0.52 C ATOM 0 H VAL A 18 8.063 -6.262 6.616 1.00 0.38 H new ATOM 0 HA VAL A 18 9.356 -6.769 9.179 1.00 0.48 H new ATOM 0 HB VAL A 18 9.063 -9.161 8.554 1.00 0.54 H new ATOM 0 HG11 VAL A 18 6.591 -9.165 8.811 1.00 0.57 H new ATOM 0 HG12 VAL A 18 7.364 -7.976 9.886 1.00 0.57 H new ATOM 0 HG13 VAL A 18 6.558 -7.435 8.395 1.00 0.57 H new ATOM 0 HG21 VAL A 18 7.597 -9.753 6.663 1.00 0.52 H new ATOM 0 HG22 VAL A 18 7.580 -8.048 6.151 1.00 0.52 H new ATOM 0 HG23 VAL A 18 9.101 -8.972 6.120 1.00 0.52 H new ATOM 251 N GLU A 19 11.628 -7.387 8.483 1.00 0.72 N ATOM 252 CA GLU A 19 13.038 -7.535 8.152 1.00 0.84 C ATOM 253 C GLU A 19 13.336 -8.857 7.462 1.00 0.84 C ATOM 254 O GLU A 19 13.592 -9.880 8.117 1.00 0.96 O ATOM 255 CB GLU A 19 13.956 -7.397 9.390 1.00 1.06 C ATOM 256 CG GLU A 19 13.835 -6.094 10.175 1.00 1.72 C ATOM 257 CD GLU A 19 12.708 -6.105 11.174 1.00 2.02 C ATOM 258 OE1 GLU A 19 12.950 -6.336 12.369 1.00 2.52 O ATOM 259 OE2 GLU A 19 11.551 -5.885 10.777 1.00 2.38 O ATOM 0 H GLU A 19 11.443 -7.398 9.486 1.00 0.72 H new ATOM 0 HA GLU A 19 13.254 -6.719 7.462 1.00 0.84 H new ATOM 0 HB2 GLU A 19 13.746 -8.226 10.066 1.00 1.06 H new ATOM 0 HB3 GLU A 19 14.990 -7.506 9.064 1.00 1.06 H new ATOM 0 HG2 GLU A 19 14.773 -5.904 10.697 1.00 1.72 H new ATOM 0 HG3 GLU A 19 13.685 -5.270 9.478 1.00 1.72 H new ATOM 266 N MET A 20 13.301 -8.842 6.168 1.00 0.79 N ATOM 267 CA MET A 20 13.654 -9.984 5.375 1.00 0.84 C ATOM 268 C MET A 20 14.338 -9.514 4.105 1.00 0.81 C ATOM 269 O MET A 20 14.543 -8.306 3.954 1.00 0.84 O ATOM 270 CB MET A 20 12.449 -10.906 5.098 1.00 0.88 C ATOM 271 CG MET A 20 11.256 -10.245 4.438 1.00 0.88 C ATOM 272 SD MET A 20 9.958 -11.443 4.049 1.00 0.88 S ATOM 273 CE MET A 20 8.719 -10.395 3.304 1.00 0.58 C ATOM 0 H MET A 20 13.023 -8.027 5.621 1.00 0.79 H new ATOM 0 HA MET A 20 14.354 -10.601 5.938 1.00 0.84 H new ATOM 0 HB2 MET A 20 12.782 -11.729 4.465 1.00 0.88 H new ATOM 0 HB3 MET A 20 12.123 -11.342 6.042 1.00 0.88 H new ATOM 0 HG2 MET A 20 10.855 -9.475 5.098 1.00 0.88 H new ATOM 0 HG3 MET A 20 11.576 -9.746 3.524 1.00 0.88 H new ATOM 0 HE1 MET A 20 7.738 -10.648 3.707 1.00 0.58 H new ATOM 0 HE2 MET A 20 8.944 -9.352 3.525 1.00 0.58 H new ATOM 0 HE3 MET A 20 8.717 -10.545 2.224 1.00 0.58 H new ATOM 283 N HIS A 21 14.690 -10.421 3.209 1.00 0.92 N ATOM 284 CA HIS A 21 15.478 -10.054 2.017 1.00 1.01 C ATOM 285 C HIS A 21 14.743 -9.107 1.081 1.00 0.82 C ATOM 286 O HIS A 21 15.331 -8.163 0.536 1.00 0.95 O ATOM 287 CB HIS A 21 15.994 -11.288 1.283 1.00 1.24 C ATOM 288 CG HIS A 21 17.065 -12.018 2.037 1.00 1.65 C ATOM 289 ND1 HIS A 21 16.887 -13.266 2.584 1.00 2.31 N ATOM 290 CD2 HIS A 21 18.346 -11.675 2.313 1.00 2.19 C ATOM 291 CE1 HIS A 21 17.999 -13.656 3.161 1.00 2.75 C ATOM 292 NE2 HIS A 21 18.900 -12.712 3.012 1.00 2.66 N ATOM 0 H HIS A 21 14.451 -11.411 3.272 1.00 0.92 H new ATOM 0 HA HIS A 21 16.342 -9.501 2.384 1.00 1.01 H new ATOM 0 HB2 HIS A 21 15.162 -11.967 1.098 1.00 1.24 H new ATOM 0 HB3 HIS A 21 16.383 -10.988 0.310 1.00 1.24 H new ATOM 0 HD2 HIS A 21 18.838 -10.755 2.033 1.00 2.19 H new ATOM 0 HE1 HIS A 21 18.148 -14.595 3.673 1.00 2.75 H new ATOM 0 HE2 HIS A 21 19.858 -12.747 3.361 1.00 2.66 H new ATOM 301 N HIS A 22 13.490 -9.355 0.880 1.00 0.67 N ATOM 302 CA HIS A 22 12.669 -8.450 0.128 1.00 0.59 C ATOM 303 C HIS A 22 11.677 -7.853 1.088 1.00 0.49 C ATOM 304 O HIS A 22 11.035 -8.574 1.840 1.00 0.57 O ATOM 305 CB HIS A 22 12.001 -9.119 -1.113 1.00 0.76 C ATOM 306 CG HIS A 22 11.090 -10.292 -0.853 1.00 1.13 C ATOM 307 ND1 HIS A 22 11.454 -11.595 -1.093 1.00 1.52 N ATOM 308 CD2 HIS A 22 9.806 -10.344 -0.422 1.00 2.11 C ATOM 309 CE1 HIS A 22 10.438 -12.384 -0.826 1.00 2.06 C ATOM 310 NE2 HIS A 22 9.433 -11.654 -0.417 1.00 2.46 N ATOM 0 H HIS A 22 13.005 -10.182 1.227 1.00 0.67 H new ATOM 0 HA HIS A 22 13.282 -7.662 -0.309 1.00 0.59 H new ATOM 0 HB2 HIS A 22 11.429 -8.357 -1.641 1.00 0.76 H new ATOM 0 HB3 HIS A 22 12.792 -9.448 -1.787 1.00 0.76 H new ATOM 0 HD2 HIS A 22 9.192 -9.503 -0.136 1.00 2.11 H new ATOM 0 HE1 HIS A 22 10.434 -13.459 -0.928 1.00 2.06 H new ATOM 0 HE2 HIS A 22 8.518 -12.008 -0.139 1.00 2.46 H new ATOM 319 N TRP A 23 11.575 -6.568 1.093 1.00 0.41 N ATOM 320 CA TRP A 23 10.771 -5.892 2.077 1.00 0.36 C ATOM 321 C TRP A 23 9.314 -5.871 1.686 1.00 0.32 C ATOM 322 O TRP A 23 8.978 -5.838 0.500 1.00 0.44 O ATOM 323 CB TRP A 23 11.308 -4.496 2.345 1.00 0.43 C ATOM 324 CG TRP A 23 12.687 -4.501 2.945 1.00 0.47 C ATOM 325 CD1 TRP A 23 13.871 -4.569 2.279 1.00 0.52 C ATOM 326 CD2 TRP A 23 13.022 -4.434 4.339 1.00 0.56 C ATOM 327 NE1 TRP A 23 14.914 -4.540 3.166 1.00 0.57 N ATOM 328 CE2 TRP A 23 14.423 -4.458 4.433 1.00 0.60 C ATOM 329 CE3 TRP A 23 12.276 -4.352 5.513 1.00 0.70 C ATOM 330 CZ2 TRP A 23 15.092 -4.398 5.653 1.00 0.73 C ATOM 331 CZ3 TRP A 23 12.937 -4.294 6.718 1.00 0.85 C ATOM 332 CH2 TRP A 23 14.334 -4.316 6.781 1.00 0.86 C ATOM 0 H TRP A 23 12.039 -5.952 0.425 1.00 0.41 H new ATOM 0 HA TRP A 23 10.836 -6.455 3.008 1.00 0.36 H new ATOM 0 HB2 TRP A 23 11.326 -3.934 1.411 1.00 0.43 H new ATOM 0 HB3 TRP A 23 10.627 -3.974 3.017 1.00 0.43 H new ATOM 0 HD1 TRP A 23 13.974 -4.636 1.206 1.00 0.52 H new ATOM 0 HE1 TRP A 23 15.902 -4.574 2.917 1.00 0.57 H new ATOM 0 HE3 TRP A 23 11.197 -4.334 5.477 1.00 0.70 H new ATOM 0 HZ2 TRP A 23 16.171 -4.416 5.702 1.00 0.73 H new ATOM 0 HZ3 TRP A 23 12.366 -4.230 7.633 1.00 0.85 H new ATOM 0 HH2 TRP A 23 14.821 -4.267 7.744 1.00 0.86 H new ATOM 343 N CYS A 24 8.465 -5.909 2.680 1.00 0.27 N ATOM 344 CA CYS A 24 7.043 -5.980 2.482 1.00 0.25 C ATOM 345 C CYS A 24 6.336 -5.052 3.445 1.00 0.23 C ATOM 346 O CYS A 24 6.511 -5.177 4.663 1.00 0.25 O ATOM 347 CB CYS A 24 6.565 -7.429 2.716 1.00 0.28 C ATOM 348 SG CYS A 24 4.751 -7.690 2.610 1.00 0.30 S ATOM 0 H CYS A 24 8.746 -5.891 3.660 1.00 0.27 H new ATOM 0 HA CYS A 24 6.809 -5.676 1.462 1.00 0.25 H new ATOM 0 HB2 CYS A 24 7.051 -8.076 1.985 1.00 0.28 H new ATOM 0 HB3 CYS A 24 6.904 -7.750 3.701 1.00 0.28 H new ATOM 353 N ILE A 25 5.595 -4.104 2.906 1.00 0.20 N ATOM 354 CA ILE A 25 4.753 -3.232 3.703 1.00 0.19 C ATOM 355 C ILE A 25 3.294 -3.656 3.473 1.00 0.18 C ATOM 356 O ILE A 25 2.694 -3.315 2.442 1.00 0.18 O ATOM 357 CB ILE A 25 4.920 -1.723 3.333 1.00 0.21 C ATOM 358 CG1 ILE A 25 6.384 -1.285 3.502 1.00 0.25 C ATOM 359 CG2 ILE A 25 4.004 -0.859 4.208 1.00 0.22 C ATOM 360 CD1 ILE A 25 6.646 0.171 3.158 1.00 0.30 C ATOM 0 H ILE A 25 5.559 -3.916 1.904 1.00 0.20 H new ATOM 0 HA ILE A 25 5.046 -3.331 4.748 1.00 0.19 H new ATOM 0 HB ILE A 25 4.638 -1.589 2.289 1.00 0.21 H new ATOM 0 HG12 ILE A 25 6.687 -1.462 4.534 1.00 0.25 H new ATOM 0 HG13 ILE A 25 7.014 -1.914 2.872 1.00 0.25 H new ATOM 0 HG21 ILE A 25 4.129 0.190 3.941 1.00 0.22 H new ATOM 0 HG22 ILE A 25 2.966 -1.152 4.049 1.00 0.22 H new ATOM 0 HG23 ILE A 25 4.264 -1.000 5.257 1.00 0.22 H new ATOM 0 HD11 ILE A 25 7.703 0.395 3.305 1.00 0.30 H new ATOM 0 HD12 ILE A 25 6.378 0.353 2.117 1.00 0.30 H new ATOM 0 HD13 ILE A 25 6.046 0.811 3.805 1.00 0.30 H new ATOM 372 N PRO A 26 2.737 -4.468 4.379 1.00 0.20 N ATOM 373 CA PRO A 26 1.362 -4.964 4.272 1.00 0.21 C ATOM 374 C PRO A 26 0.317 -3.875 4.562 1.00 0.21 C ATOM 375 O PRO A 26 0.399 -3.165 5.584 1.00 0.23 O ATOM 376 CB PRO A 26 1.292 -6.068 5.347 1.00 0.25 C ATOM 377 CG PRO A 26 2.703 -6.288 5.784 1.00 0.28 C ATOM 378 CD PRO A 26 3.399 -4.986 5.577 1.00 0.24 C ATOM 0 HA PRO A 26 1.138 -5.312 3.264 1.00 0.21 H new ATOM 0 HB2 PRO A 26 0.665 -5.762 6.184 1.00 0.25 H new ATOM 0 HB3 PRO A 26 0.859 -6.983 4.943 1.00 0.25 H new ATOM 0 HG2 PRO A 26 2.746 -6.592 6.830 1.00 0.28 H new ATOM 0 HG3 PRO A 26 3.174 -7.080 5.202 1.00 0.28 H new ATOM 0 HD2 PRO A 26 3.277 -4.319 6.430 1.00 0.24 H new ATOM 0 HD3 PRO A 26 4.470 -5.117 5.426 1.00 0.24 H new ATOM 386 N PHE A 27 -0.670 -3.763 3.697 1.00 0.23 N ATOM 387 CA PHE A 27 -1.705 -2.768 3.863 1.00 0.25 C ATOM 388 C PHE A 27 -3.075 -3.412 3.871 1.00 0.25 C ATOM 389 O PHE A 27 -3.269 -4.525 3.353 1.00 0.30 O ATOM 390 CB PHE A 27 -1.644 -1.653 2.787 1.00 0.27 C ATOM 391 CG PHE A 27 -1.941 -2.066 1.360 1.00 0.28 C ATOM 392 CD1 PHE A 27 -3.232 -1.945 0.830 1.00 0.29 C ATOM 393 CD2 PHE A 27 -0.937 -2.552 0.545 1.00 0.32 C ATOM 394 CE1 PHE A 27 -3.492 -2.310 -0.473 1.00 0.34 C ATOM 395 CE2 PHE A 27 -1.201 -2.916 -0.761 1.00 0.36 C ATOM 396 CZ PHE A 27 -2.477 -2.795 -1.268 1.00 0.37 C ATOM 0 H PHE A 27 -0.776 -4.351 2.870 1.00 0.23 H new ATOM 0 HA PHE A 27 -1.525 -2.294 4.828 1.00 0.25 H new ATOM 0 HB2 PHE A 27 -2.349 -0.870 3.068 1.00 0.27 H new ATOM 0 HB3 PHE A 27 -0.648 -1.210 2.813 1.00 0.27 H new ATOM 0 HD1 PHE A 27 -4.031 -1.562 1.448 1.00 0.29 H new ATOM 0 HD2 PHE A 27 0.066 -2.648 0.934 1.00 0.32 H new ATOM 0 HE1 PHE A 27 -4.492 -2.216 -0.871 1.00 0.34 H new ATOM 0 HE2 PHE A 27 -0.406 -3.296 -1.386 1.00 0.36 H new ATOM 0 HZ PHE A 27 -2.681 -3.081 -2.289 1.00 0.37 H new ATOM 406 N SER A 28 -3.996 -2.748 4.495 1.00 0.25 N ATOM 407 CA SER A 28 -5.364 -3.147 4.516 1.00 0.28 C ATOM 408 C SER A 28 -6.231 -1.910 4.387 1.00 0.24 C ATOM 409 O SER A 28 -6.108 -0.978 5.163 1.00 0.27 O ATOM 410 CB SER A 28 -5.690 -3.897 5.806 1.00 0.41 C ATOM 411 OG SER A 28 -4.824 -5.016 5.978 1.00 0.88 O ATOM 0 H SER A 28 -3.810 -1.891 5.017 1.00 0.25 H new ATOM 0 HA SER A 28 -5.559 -3.823 3.684 1.00 0.28 H new ATOM 0 HB2 SER A 28 -5.593 -3.223 6.657 1.00 0.41 H new ATOM 0 HB3 SER A 28 -6.726 -4.234 5.783 1.00 0.41 H new ATOM 0 HG SER A 28 -5.254 -5.821 5.621 1.00 0.88 H new ATOM 417 N VAL A 29 -7.043 -1.886 3.390 1.00 0.23 N ATOM 418 CA VAL A 29 -7.940 -0.793 3.158 1.00 0.21 C ATOM 419 C VAL A 29 -9.357 -1.332 3.085 1.00 0.21 C ATOM 420 O VAL A 29 -9.697 -2.111 2.186 1.00 0.27 O ATOM 421 CB VAL A 29 -7.535 0.053 1.887 1.00 0.22 C ATOM 422 CG1 VAL A 29 -7.240 -0.833 0.688 1.00 0.25 C ATOM 423 CG2 VAL A 29 -8.627 1.051 1.532 1.00 0.26 C ATOM 0 H VAL A 29 -7.109 -2.633 2.698 1.00 0.23 H new ATOM 0 HA VAL A 29 -7.878 -0.092 3.990 1.00 0.21 H new ATOM 0 HB VAL A 29 -6.623 0.594 2.141 1.00 0.22 H new ATOM 0 HG11 VAL A 29 -6.966 -0.212 -0.165 1.00 0.25 H new ATOM 0 HG12 VAL A 29 -6.416 -1.506 0.927 1.00 0.25 H new ATOM 0 HG13 VAL A 29 -8.126 -1.418 0.441 1.00 0.25 H new ATOM 0 HG21 VAL A 29 -8.326 1.622 0.654 1.00 0.26 H new ATOM 0 HG22 VAL A 29 -9.553 0.517 1.318 1.00 0.26 H new ATOM 0 HG23 VAL A 29 -8.786 1.730 2.370 1.00 0.26 H new ATOM 433 N ASP A 30 -10.148 -0.995 4.064 1.00 0.27 N ATOM 434 CA ASP A 30 -11.501 -1.498 4.133 1.00 0.35 C ATOM 435 C ASP A 30 -12.498 -0.429 3.795 1.00 0.37 C ATOM 436 O ASP A 30 -12.260 0.751 4.055 1.00 0.48 O ATOM 437 CB ASP A 30 -11.822 -2.172 5.485 1.00 0.51 C ATOM 438 CG ASP A 30 -11.861 -1.255 6.683 1.00 0.80 C ATOM 439 OD1 ASP A 30 -10.804 -1.037 7.297 1.00 1.39 O ATOM 440 OD2 ASP A 30 -12.927 -0.673 6.975 1.00 1.30 O ATOM 0 H ASP A 30 -9.884 -0.374 4.829 1.00 0.27 H new ATOM 0 HA ASP A 30 -11.581 -2.280 3.378 1.00 0.35 H new ATOM 0 HB2 ASP A 30 -12.788 -2.670 5.401 1.00 0.51 H new ATOM 0 HB3 ASP A 30 -11.078 -2.947 5.669 1.00 0.51 H new ATOM 445 N GLY A 31 -13.588 -0.845 3.187 1.00 0.37 N ATOM 446 CA GLY A 31 -14.623 0.046 2.749 1.00 0.42 C ATOM 447 C GLY A 31 -15.377 -0.565 1.590 1.00 0.46 C ATOM 448 O GLY A 31 -15.193 -1.751 1.290 1.00 0.60 O ATOM 0 H GLY A 31 -13.776 -1.827 2.984 1.00 0.37 H new ATOM 0 HA2 GLY A 31 -15.309 0.252 3.571 1.00 0.42 H new ATOM 0 HA3 GLY A 31 -14.190 1.000 2.449 1.00 0.42 H new ATOM 452 N GLN A 32 -16.235 0.201 0.953 1.00 0.55 N ATOM 453 CA GLN A 32 -16.987 -0.282 -0.211 1.00 0.64 C ATOM 454 C GLN A 32 -16.774 0.563 -1.466 1.00 0.61 C ATOM 455 O GLN A 32 -16.494 -0.005 -2.528 1.00 0.68 O ATOM 456 CB GLN A 32 -18.465 -0.539 0.091 1.00 0.76 C ATOM 457 CG GLN A 32 -18.707 -1.806 0.889 1.00 0.99 C ATOM 458 CD GLN A 32 -18.349 -3.063 0.111 1.00 1.82 C ATOM 459 OE1 GLN A 32 -19.189 -3.626 -0.587 1.00 2.42 O ATOM 460 NE2 GLN A 32 -17.121 -3.504 0.198 1.00 2.61 N ATOM 0 H GLN A 32 -16.438 1.166 1.214 1.00 0.55 H new ATOM 0 HA GLN A 32 -16.558 -1.257 -0.442 1.00 0.64 H new ATOM 0 HB2 GLN A 32 -18.868 0.311 0.642 1.00 0.76 H new ATOM 0 HB3 GLN A 32 -19.015 -0.600 -0.848 1.00 0.76 H new ATOM 0 HG2 GLN A 32 -18.120 -1.771 1.807 1.00 0.99 H new ATOM 0 HG3 GLN A 32 -19.756 -1.851 1.183 1.00 0.99 H new ATOM 0 HE21 GLN A 32 -16.444 -3.016 0.785 1.00 2.61 H new ATOM 0 HE22 GLN A 32 -16.840 -4.335 -0.322 1.00 2.61 H new ATOM 469 N PRO A 33 -16.947 1.921 -1.418 1.00 0.59 N ATOM 470 CA PRO A 33 -16.545 2.764 -2.537 1.00 0.62 C ATOM 471 C PRO A 33 -15.056 2.576 -2.749 1.00 0.53 C ATOM 472 O PRO A 33 -14.266 2.790 -1.817 1.00 0.44 O ATOM 473 CB PRO A 33 -16.840 4.191 -2.057 1.00 0.67 C ATOM 474 CG PRO A 33 -17.879 4.025 -1.012 1.00 0.78 C ATOM 475 CD PRO A 33 -17.583 2.714 -0.348 1.00 0.63 C ATOM 0 HA PRO A 33 -17.056 2.538 -3.473 1.00 0.62 H new ATOM 0 HB2 PRO A 33 -15.946 4.667 -1.655 1.00 0.67 H new ATOM 0 HB3 PRO A 33 -17.196 4.819 -2.874 1.00 0.67 H new ATOM 0 HG2 PRO A 33 -17.845 4.844 -0.293 1.00 0.78 H new ATOM 0 HG3 PRO A 33 -18.877 4.025 -1.449 1.00 0.78 H new ATOM 0 HD2 PRO A 33 -16.919 2.838 0.508 1.00 0.63 H new ATOM 0 HD3 PRO A 33 -18.491 2.236 0.020 1.00 0.63 H new ATOM 483 N ALA A 34 -14.687 2.143 -3.936 1.00 0.62 N ATOM 484 CA ALA A 34 -13.317 1.794 -4.244 1.00 0.60 C ATOM 485 C ALA A 34 -12.425 3.020 -4.231 1.00 0.52 C ATOM 486 O ALA A 34 -12.541 3.890 -5.095 1.00 0.63 O ATOM 487 CB ALA A 34 -13.239 1.081 -5.587 1.00 0.78 C ATOM 0 H ALA A 34 -15.332 2.023 -4.717 1.00 0.62 H new ATOM 0 HA ALA A 34 -12.958 1.114 -3.472 1.00 0.60 H new ATOM 0 HB1 ALA A 34 -12.202 0.825 -5.804 1.00 0.78 H new ATOM 0 HB2 ALA A 34 -13.837 0.170 -5.551 1.00 0.78 H new ATOM 0 HB3 ALA A 34 -13.622 1.736 -6.369 1.00 0.78 H new ATOM 493 N PRO A 35 -11.525 3.122 -3.251 1.00 0.39 N ATOM 494 CA PRO A 35 -10.660 4.261 -3.133 1.00 0.35 C ATOM 495 C PRO A 35 -9.427 4.125 -4.003 1.00 0.41 C ATOM 496 O PRO A 35 -8.920 3.013 -4.233 1.00 0.56 O ATOM 497 CB PRO A 35 -10.261 4.233 -1.664 1.00 0.29 C ATOM 498 CG PRO A 35 -10.211 2.787 -1.323 1.00 0.31 C ATOM 499 CD PRO A 35 -11.272 2.125 -2.170 1.00 0.37 C ATOM 0 HA PRO A 35 -11.145 5.185 -3.449 1.00 0.35 H new ATOM 0 HB2 PRO A 35 -9.295 4.712 -1.505 1.00 0.29 H new ATOM 0 HB3 PRO A 35 -10.985 4.763 -1.045 1.00 0.29 H new ATOM 0 HG2 PRO A 35 -9.226 2.370 -1.534 1.00 0.31 H new ATOM 0 HG3 PRO A 35 -10.404 2.629 -0.262 1.00 0.31 H new ATOM 0 HD2 PRO A 35 -10.927 1.173 -2.574 1.00 0.37 H new ATOM 0 HD3 PRO A 35 -12.174 1.919 -1.595 1.00 0.37 H new ATOM 507 N SER A 36 -8.967 5.228 -4.497 1.00 0.39 N ATOM 508 CA SER A 36 -7.760 5.259 -5.241 1.00 0.44 C ATOM 509 C SER A 36 -6.623 5.241 -4.231 1.00 0.37 C ATOM 510 O SER A 36 -6.583 6.086 -3.322 1.00 0.41 O ATOM 511 CB SER A 36 -7.709 6.518 -6.112 1.00 0.57 C ATOM 512 OG SER A 36 -6.591 6.501 -6.982 1.00 1.37 O ATOM 0 H SER A 36 -9.423 6.134 -4.393 1.00 0.39 H new ATOM 0 HA SER A 36 -7.684 4.404 -5.913 1.00 0.44 H new ATOM 0 HB2 SER A 36 -8.626 6.595 -6.697 1.00 0.57 H new ATOM 0 HB3 SER A 36 -7.662 7.401 -5.475 1.00 0.57 H new ATOM 0 HG SER A 36 -6.587 7.316 -7.526 1.00 1.37 H new ATOM 518 N LEU A 37 -5.772 4.255 -4.341 1.00 0.33 N ATOM 519 CA LEU A 37 -4.672 4.078 -3.432 1.00 0.30 C ATOM 520 C LEU A 37 -3.418 4.682 -4.024 1.00 0.32 C ATOM 521 O LEU A 37 -3.083 4.433 -5.188 1.00 0.50 O ATOM 522 CB LEU A 37 -4.442 2.586 -3.167 1.00 0.32 C ATOM 523 CG LEU A 37 -5.597 1.809 -2.523 1.00 0.32 C ATOM 524 CD1 LEU A 37 -5.278 0.341 -2.518 1.00 0.43 C ATOM 525 CD2 LEU A 37 -5.832 2.271 -1.099 1.00 0.27 C ATOM 0 H LEU A 37 -5.824 3.545 -5.072 1.00 0.33 H new ATOM 0 HA LEU A 37 -4.909 4.576 -2.492 1.00 0.30 H new ATOM 0 HB2 LEU A 37 -4.198 2.107 -4.115 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -3.567 2.487 -2.525 1.00 0.32 H new ATOM 0 HG LEU A 37 -6.500 1.994 -3.106 1.00 0.32 H new ATOM 0 HD11 LEU A 37 -6.100 -0.208 -2.060 1.00 0.43 H new ATOM 0 HD12 LEU A 37 -5.137 -0.004 -3.542 1.00 0.43 H new ATOM 0 HD13 LEU A 37 -4.365 0.169 -1.948 1.00 0.43 H new ATOM 0 HD21 LEU A 37 -6.656 1.705 -0.664 1.00 0.27 H new ATOM 0 HD22 LEU A 37 -4.929 2.108 -0.510 1.00 0.27 H new ATOM 0 HD23 LEU A 37 -6.080 3.332 -1.097 1.00 0.27 H new ATOM 537 N ARG A 38 -2.757 5.488 -3.257 1.00 0.23 N ATOM 538 CA ARG A 38 -1.526 6.102 -3.673 1.00 0.23 C ATOM 539 C ARG A 38 -0.500 6.061 -2.565 1.00 0.22 C ATOM 540 O ARG A 38 -0.815 6.341 -1.405 1.00 0.26 O ATOM 541 CB ARG A 38 -1.772 7.546 -4.141 1.00 0.28 C ATOM 542 CG ARG A 38 -0.508 8.383 -4.304 1.00 0.33 C ATOM 543 CD ARG A 38 -0.808 9.689 -4.991 1.00 1.28 C ATOM 544 NE ARG A 38 -1.186 9.466 -6.385 1.00 1.98 N ATOM 545 CZ ARG A 38 -1.757 10.368 -7.184 1.00 3.10 C ATOM 546 NH1 ARG A 38 -2.183 11.534 -6.692 1.00 3.72 N ATOM 547 NH2 ARG A 38 -1.926 10.089 -8.470 1.00 3.78 N ATOM 0 H ARG A 38 -3.054 5.744 -2.316 1.00 0.23 H new ATOM 0 HA ARG A 38 -1.131 5.534 -4.515 1.00 0.23 H new ATOM 0 HB2 ARG A 38 -2.301 7.520 -5.094 1.00 0.28 H new ATOM 0 HB3 ARG A 38 -2.429 8.039 -3.425 1.00 0.28 H new ATOM 0 HG2 ARG A 38 -0.067 8.576 -3.326 1.00 0.33 H new ATOM 0 HG3 ARG A 38 0.229 7.825 -4.882 1.00 0.33 H new ATOM 0 HD2 ARG A 38 -1.615 10.203 -4.468 1.00 1.28 H new ATOM 0 HD3 ARG A 38 0.066 10.338 -4.946 1.00 1.28 H new ATOM 0 HE ARG A 38 -0.997 8.544 -6.779 1.00 1.98 H new ATOM 0 HH11 ARG A 38 -2.073 11.739 -5.699 1.00 3.72 H new ATOM 0 HH12 ARG A 38 -2.619 12.219 -7.309 1.00 3.72 H new ATOM 0 HH21 ARG A 38 -1.620 9.190 -8.841 1.00 3.78 H new ATOM 0 HH22 ARG A 38 -2.362 10.774 -9.087 1.00 3.78 H new ATOM 561 N TRP A 39 0.707 5.693 -2.919 1.00 0.22 N ATOM 562 CA TRP A 39 1.805 5.700 -1.994 1.00 0.22 C ATOM 563 C TRP A 39 2.553 6.997 -2.146 1.00 0.20 C ATOM 564 O TRP A 39 3.029 7.332 -3.242 1.00 0.26 O ATOM 565 CB TRP A 39 2.771 4.547 -2.254 1.00 0.25 C ATOM 566 CG TRP A 39 2.197 3.191 -2.057 1.00 0.25 C ATOM 567 CD1 TRP A 39 1.664 2.392 -3.013 1.00 0.29 C ATOM 568 CD2 TRP A 39 2.112 2.464 -0.827 1.00 0.24 C ATOM 569 NE1 TRP A 39 1.257 1.213 -2.462 1.00 0.29 N ATOM 570 CE2 TRP A 39 1.515 1.229 -1.121 1.00 0.26 C ATOM 571 CE3 TRP A 39 2.482 2.738 0.494 1.00 0.25 C ATOM 572 CZ2 TRP A 39 1.280 0.263 -0.148 1.00 0.26 C ATOM 573 CZ3 TRP A 39 2.250 1.780 1.458 1.00 0.26 C ATOM 574 CH2 TRP A 39 1.652 0.555 1.133 1.00 0.26 C ATOM 0 H TRP A 39 0.952 5.380 -3.858 1.00 0.22 H new ATOM 0 HA TRP A 39 1.403 5.588 -0.987 1.00 0.22 H new ATOM 0 HB2 TRP A 39 3.139 4.624 -3.277 1.00 0.25 H new ATOM 0 HB3 TRP A 39 3.633 4.659 -1.596 1.00 0.25 H new ATOM 0 HD1 TRP A 39 1.575 2.651 -4.058 1.00 0.29 H new ATOM 0 HE1 TRP A 39 0.827 0.441 -2.971 1.00 0.29 H new ATOM 0 HE3 TRP A 39 2.940 3.681 0.753 1.00 0.25 H new ATOM 0 HZ2 TRP A 39 0.821 -0.682 -0.396 1.00 0.26 H new ATOM 0 HZ3 TRP A 39 2.534 1.977 2.481 1.00 0.26 H new ATOM 0 HH2 TRP A 39 1.482 -0.173 1.912 1.00 0.26 H new ATOM 585 N LEU A 40 2.616 7.740 -1.105 1.00 0.25 N ATOM 586 CA LEU A 40 3.354 8.953 -1.115 1.00 0.24 C ATOM 587 C LEU A 40 4.627 8.704 -0.343 1.00 0.27 C ATOM 588 O LEU A 40 4.592 8.132 0.749 1.00 0.34 O ATOM 589 CB LEU A 40 2.550 10.077 -0.473 1.00 0.31 C ATOM 590 CG LEU A 40 3.060 11.489 -0.705 1.00 0.49 C ATOM 591 CD1 LEU A 40 2.867 11.872 -2.154 1.00 0.66 C ATOM 592 CD2 LEU A 40 2.350 12.466 0.204 1.00 0.95 C ATOM 0 H LEU A 40 2.158 7.527 -0.219 1.00 0.25 H new ATOM 0 HA LEU A 40 3.576 9.259 -2.137 1.00 0.24 H new ATOM 0 HB2 LEU A 40 1.526 10.019 -0.842 1.00 0.31 H new ATOM 0 HB3 LEU A 40 2.512 9.899 0.602 1.00 0.31 H new ATOM 0 HG LEU A 40 4.124 11.523 -0.471 1.00 0.49 H new ATOM 0 HD11 LEU A 40 3.234 12.886 -2.314 1.00 0.66 H new ATOM 0 HD12 LEU A 40 3.420 11.181 -2.790 1.00 0.66 H new ATOM 0 HD13 LEU A 40 1.807 11.827 -2.404 1.00 0.66 H new ATOM 0 HD21 LEU A 40 2.729 13.472 0.023 1.00 0.95 H new ATOM 0 HD22 LEU A 40 1.279 12.439 0.001 1.00 0.95 H new ATOM 0 HD23 LEU A 40 2.529 12.192 1.244 1.00 0.95 H new ATOM 604 N PHE A 41 5.715 9.077 -0.915 1.00 0.28 N ATOM 605 CA PHE A 41 7.004 8.884 -0.343 1.00 0.35 C ATOM 606 C PHE A 41 7.674 10.227 -0.173 1.00 0.38 C ATOM 607 O PHE A 41 8.091 10.840 -1.150 1.00 0.41 O ATOM 608 CB PHE A 41 7.837 7.963 -1.248 1.00 0.45 C ATOM 609 CG PHE A 41 9.254 7.781 -0.801 1.00 0.58 C ATOM 610 CD1 PHE A 41 10.286 8.439 -1.450 1.00 0.75 C ATOM 611 CD2 PHE A 41 9.556 6.970 0.269 1.00 0.60 C ATOM 612 CE1 PHE A 41 11.585 8.289 -1.034 1.00 0.88 C ATOM 613 CE2 PHE A 41 10.857 6.815 0.687 1.00 0.74 C ATOM 614 CZ PHE A 41 11.870 7.474 0.036 1.00 0.86 C ATOM 0 H PHE A 41 5.736 9.540 -1.824 1.00 0.28 H new ATOM 0 HA PHE A 41 6.915 8.410 0.635 1.00 0.35 H new ATOM 0 HB2 PHE A 41 7.355 6.987 -1.296 1.00 0.45 H new ATOM 0 HB3 PHE A 41 7.836 8.369 -2.260 1.00 0.45 H new ATOM 0 HD1 PHE A 41 10.066 9.077 -2.293 1.00 0.75 H new ATOM 0 HD2 PHE A 41 8.763 6.450 0.786 1.00 0.60 H new ATOM 0 HE1 PHE A 41 12.381 8.810 -1.546 1.00 0.88 H new ATOM 0 HE2 PHE A 41 11.082 6.175 1.527 1.00 0.74 H new ATOM 0 HZ PHE A 41 12.892 7.352 0.365 1.00 0.86 H new ATOM 624 N ASN A 42 7.703 10.709 1.059 1.00 0.46 N ATOM 625 CA ASN A 42 8.344 11.993 1.423 1.00 0.57 C ATOM 626 C ASN A 42 7.770 13.164 0.625 1.00 0.53 C ATOM 627 O ASN A 42 8.484 14.110 0.285 1.00 0.69 O ATOM 628 CB ASN A 42 9.882 11.941 1.249 1.00 0.73 C ATOM 629 CG ASN A 42 10.593 10.996 2.209 1.00 1.12 C ATOM 630 OD1 ASN A 42 10.156 10.773 3.343 1.00 1.79 O ATOM 631 ND2 ASN A 42 11.690 10.442 1.773 1.00 1.72 N ATOM 0 H ASN A 42 7.282 10.226 1.853 1.00 0.46 H new ATOM 0 HA ASN A 42 8.123 12.155 2.478 1.00 0.57 H new ATOM 0 HB2 ASN A 42 10.110 11.639 0.227 1.00 0.73 H new ATOM 0 HB3 ASN A 42 10.285 12.945 1.382 1.00 0.73 H new ATOM 0 HD21 ASN A 42 12.213 9.804 2.373 1.00 1.72 H new ATOM 0 HD22 ASN A 42 12.025 10.646 0.832 1.00 1.72 H new ATOM 638 N GLY A 43 6.488 13.094 0.312 1.00 0.45 N ATOM 639 CA GLY A 43 5.850 14.158 -0.450 1.00 0.51 C ATOM 640 C GLY A 43 5.917 13.931 -1.957 1.00 0.47 C ATOM 641 O GLY A 43 5.316 14.678 -2.741 1.00 0.61 O ATOM 0 H GLY A 43 5.873 12.322 0.569 1.00 0.45 H new ATOM 0 HA2 GLY A 43 4.806 14.240 -0.146 1.00 0.51 H new ATOM 0 HA3 GLY A 43 6.328 15.108 -0.209 1.00 0.51 H new ATOM 645 N SER A 44 6.618 12.911 -2.359 1.00 0.38 N ATOM 646 CA SER A 44 6.779 12.565 -3.750 1.00 0.40 C ATOM 647 C SER A 44 5.926 11.345 -4.030 1.00 0.33 C ATOM 648 O SER A 44 5.715 10.515 -3.151 1.00 0.28 O ATOM 649 CB SER A 44 8.271 12.295 -4.014 1.00 0.51 C ATOM 650 OG SER A 44 8.561 12.146 -5.390 1.00 1.37 O ATOM 0 H SER A 44 7.105 12.282 -1.721 1.00 0.38 H new ATOM 0 HA SER A 44 6.459 13.370 -4.411 1.00 0.40 H new ATOM 0 HB2 SER A 44 8.862 13.116 -3.609 1.00 0.51 H new ATOM 0 HB3 SER A 44 8.573 11.392 -3.483 1.00 0.51 H new ATOM 0 HG SER A 44 9.520 11.978 -5.506 1.00 1.37 H new ATOM 656 N VAL A 45 5.395 11.258 -5.215 1.00 0.41 N ATOM 657 CA VAL A 45 4.537 10.159 -5.555 1.00 0.41 C ATOM 658 C VAL A 45 5.388 8.951 -5.862 1.00 0.39 C ATOM 659 O VAL A 45 6.285 9.016 -6.708 1.00 0.45 O ATOM 660 CB VAL A 45 3.619 10.483 -6.764 1.00 0.55 C ATOM 661 CG1 VAL A 45 2.753 9.303 -7.111 1.00 0.68 C ATOM 662 CG2 VAL A 45 2.749 11.681 -6.477 1.00 0.70 C ATOM 0 H VAL A 45 5.541 11.935 -5.963 1.00 0.41 H new ATOM 0 HA VAL A 45 3.886 9.960 -4.704 1.00 0.41 H new ATOM 0 HB VAL A 45 4.264 10.711 -7.613 1.00 0.55 H new ATOM 0 HG11 VAL A 45 2.119 9.555 -7.961 1.00 0.68 H new ATOM 0 HG12 VAL A 45 3.384 8.452 -7.368 1.00 0.68 H new ATOM 0 HG13 VAL A 45 2.128 9.046 -6.256 1.00 0.68 H new ATOM 0 HG21 VAL A 45 2.116 11.886 -7.340 1.00 0.70 H new ATOM 0 HG22 VAL A 45 2.123 11.476 -5.608 1.00 0.70 H new ATOM 0 HG23 VAL A 45 3.378 12.548 -6.275 1.00 0.70 H new ATOM 672 N LEU A 46 5.142 7.872 -5.159 1.00 0.37 N ATOM 673 CA LEU A 46 5.888 6.668 -5.362 1.00 0.40 C ATOM 674 C LEU A 46 5.335 5.935 -6.564 1.00 0.44 C ATOM 675 O LEU A 46 4.227 5.378 -6.525 1.00 0.51 O ATOM 676 CB LEU A 46 5.836 5.779 -4.125 1.00 0.44 C ATOM 677 CG LEU A 46 6.637 4.478 -4.198 1.00 0.51 C ATOM 678 CD1 LEU A 46 8.133 4.755 -4.300 1.00 0.57 C ATOM 679 CD2 LEU A 46 6.326 3.600 -3.005 1.00 0.61 C ATOM 0 H LEU A 46 4.424 7.810 -4.437 1.00 0.37 H new ATOM 0 HA LEU A 46 6.932 6.925 -5.542 1.00 0.40 H new ATOM 0 HB2 LEU A 46 6.195 6.356 -3.273 1.00 0.44 H new ATOM 0 HB3 LEU A 46 4.794 5.530 -3.925 1.00 0.44 H new ATOM 0 HG LEU A 46 6.341 3.946 -5.102 1.00 0.51 H new ATOM 0 HD11 LEU A 46 8.675 3.811 -4.350 1.00 0.57 H new ATOM 0 HD12 LEU A 46 8.335 5.338 -5.199 1.00 0.57 H new ATOM 0 HD13 LEU A 46 8.460 5.315 -3.424 1.00 0.57 H new ATOM 0 HD21 LEU A 46 6.904 2.678 -3.071 1.00 0.61 H new ATOM 0 HD22 LEU A 46 6.588 4.127 -2.087 1.00 0.61 H new ATOM 0 HD23 LEU A 46 5.262 3.362 -2.996 1.00 0.61 H new ATOM 691 N ASN A 47 6.074 5.981 -7.629 1.00 0.54 N ATOM 692 CA ASN A 47 5.695 5.313 -8.845 1.00 0.59 C ATOM 693 C ASN A 47 6.213 3.901 -8.798 1.00 0.53 C ATOM 694 O ASN A 47 7.378 3.674 -8.439 1.00 0.64 O ATOM 695 CB ASN A 47 6.264 6.042 -10.077 1.00 0.79 C ATOM 696 CG ASN A 47 5.664 7.423 -10.298 1.00 1.54 C ATOM 697 OD1 ASN A 47 4.647 7.568 -10.975 1.00 2.47 O ATOM 698 ND2 ASN A 47 6.281 8.438 -9.756 1.00 1.94 N ATOM 0 H ASN A 47 6.960 6.483 -7.684 1.00 0.54 H new ATOM 0 HA ASN A 47 4.608 5.314 -8.931 1.00 0.59 H new ATOM 0 HB2 ASN A 47 7.344 6.138 -9.966 1.00 0.79 H new ATOM 0 HB3 ASN A 47 6.088 5.432 -10.963 1.00 0.79 H new ATOM 0 HD21 ASN A 47 5.922 9.383 -9.889 1.00 1.94 H new ATOM 0 HD22 ASN A 47 7.122 8.286 -9.200 1.00 1.94 H new ATOM 705 N GLU A 48 5.358 2.959 -9.102 1.00 0.49 N ATOM 706 CA GLU A 48 5.734 1.561 -9.100 1.00 0.53 C ATOM 707 C GLU A 48 6.670 1.246 -10.235 1.00 0.53 C ATOM 708 O GLU A 48 6.600 1.849 -11.309 1.00 0.70 O ATOM 709 CB GLU A 48 4.520 0.678 -9.180 1.00 0.69 C ATOM 710 CG GLU A 48 3.637 0.757 -7.971 1.00 0.74 C ATOM 711 CD GLU A 48 2.336 0.091 -8.219 1.00 1.12 C ATOM 712 OE1 GLU A 48 1.349 0.783 -8.568 1.00 1.56 O ATOM 713 OE2 GLU A 48 2.272 -1.140 -8.059 1.00 1.74 O ATOM 0 H GLU A 48 4.386 3.133 -9.357 1.00 0.49 H new ATOM 0 HA GLU A 48 6.251 1.365 -8.161 1.00 0.53 H new ATOM 0 HB2 GLU A 48 3.940 0.952 -10.061 1.00 0.69 H new ATOM 0 HB3 GLU A 48 4.841 -0.355 -9.318 1.00 0.69 H new ATOM 0 HG2 GLU A 48 4.134 0.288 -7.122 1.00 0.74 H new ATOM 0 HG3 GLU A 48 3.470 1.801 -7.705 1.00 0.74 H new ATOM 720 N THR A 49 7.510 0.300 -9.999 1.00 0.53 N ATOM 721 CA THR A 49 8.505 -0.106 -10.923 1.00 0.58 C ATOM 722 C THR A 49 8.713 -1.625 -10.791 1.00 0.60 C ATOM 723 O THR A 49 7.924 -2.291 -10.099 1.00 0.65 O ATOM 724 CB THR A 49 9.833 0.712 -10.698 1.00 0.71 C ATOM 725 OG1 THR A 49 10.885 0.266 -11.551 1.00 1.57 O ATOM 726 CG2 THR A 49 10.295 0.656 -9.252 1.00 0.98 C ATOM 0 H THR A 49 7.522 -0.229 -9.127 1.00 0.53 H new ATOM 0 HA THR A 49 8.185 0.104 -11.944 1.00 0.58 H new ATOM 0 HB THR A 49 9.596 1.746 -10.949 1.00 0.71 H new ATOM 0 HG1 THR A 49 11.690 0.798 -11.383 1.00 1.57 H new ATOM 0 HG21 THR A 49 11.213 1.233 -9.141 1.00 0.98 H new ATOM 0 HG22 THR A 49 9.523 1.075 -8.607 1.00 0.98 H new ATOM 0 HG23 THR A 49 10.481 -0.380 -8.969 1.00 0.98 H new ATOM 734 N SER A 50 9.726 -2.166 -11.397 1.00 0.68 N ATOM 735 CA SER A 50 9.951 -3.586 -11.343 1.00 0.78 C ATOM 736 C SER A 50 10.441 -3.990 -9.934 1.00 0.72 C ATOM 737 O SER A 50 10.227 -5.118 -9.476 1.00 0.86 O ATOM 738 CB SER A 50 10.957 -4.004 -12.429 1.00 0.96 C ATOM 739 OG SER A 50 11.025 -5.412 -12.566 1.00 1.52 O ATOM 0 H SER A 50 10.416 -1.645 -11.939 1.00 0.68 H new ATOM 0 HA SER A 50 9.014 -4.108 -11.536 1.00 0.78 H new ATOM 0 HB2 SER A 50 10.670 -3.559 -13.382 1.00 0.96 H new ATOM 0 HB3 SER A 50 11.944 -3.614 -12.180 1.00 0.96 H new ATOM 0 HG SER A 50 11.672 -5.642 -13.265 1.00 1.52 H new ATOM 745 N PHE A 51 11.049 -3.053 -9.231 1.00 0.64 N ATOM 746 CA PHE A 51 11.613 -3.350 -7.922 1.00 0.68 C ATOM 747 C PHE A 51 10.739 -2.876 -6.762 1.00 0.55 C ATOM 748 O PHE A 51 10.968 -3.266 -5.623 1.00 0.61 O ATOM 749 CB PHE A 51 13.021 -2.786 -7.806 1.00 0.87 C ATOM 750 CG PHE A 51 13.975 -3.378 -8.807 1.00 1.08 C ATOM 751 CD1 PHE A 51 14.532 -4.628 -8.589 1.00 1.39 C ATOM 752 CD2 PHE A 51 14.309 -2.695 -9.967 1.00 1.16 C ATOM 753 CE1 PHE A 51 15.401 -5.185 -9.502 1.00 1.59 C ATOM 754 CE2 PHE A 51 15.179 -3.248 -10.883 1.00 1.37 C ATOM 755 CZ PHE A 51 15.726 -4.494 -10.651 1.00 1.52 C ATOM 0 H PHE A 51 11.166 -2.087 -9.538 1.00 0.64 H new ATOM 0 HA PHE A 51 11.655 -4.436 -7.844 1.00 0.68 H new ATOM 0 HB2 PHE A 51 12.986 -1.705 -7.941 1.00 0.87 H new ATOM 0 HB3 PHE A 51 13.398 -2.969 -6.800 1.00 0.87 H new ATOM 0 HD1 PHE A 51 14.282 -5.173 -7.691 1.00 1.39 H new ATOM 0 HD2 PHE A 51 13.883 -1.720 -10.155 1.00 1.16 H new ATOM 0 HE1 PHE A 51 15.827 -6.160 -9.318 1.00 1.59 H new ATOM 0 HE2 PHE A 51 15.432 -2.706 -11.782 1.00 1.37 H new ATOM 0 HZ PHE A 51 16.408 -4.927 -11.368 1.00 1.52 H new ATOM 765 N ILE A 52 9.745 -2.065 -7.057 1.00 0.46 N ATOM 766 CA ILE A 52 8.836 -1.520 -6.043 1.00 0.39 C ATOM 767 C ILE A 52 7.448 -1.645 -6.609 1.00 0.37 C ATOM 768 O ILE A 52 7.104 -0.924 -7.540 1.00 0.43 O ATOM 769 CB ILE A 52 9.087 -0.007 -5.767 1.00 0.41 C ATOM 770 CG1 ILE A 52 10.555 0.272 -5.440 1.00 0.46 C ATOM 771 CG2 ILE A 52 8.194 0.485 -4.622 1.00 0.41 C ATOM 772 CD1 ILE A 52 10.841 1.733 -5.181 1.00 0.50 C ATOM 0 H ILE A 52 9.535 -1.758 -8.007 1.00 0.46 H new ATOM 0 HA ILE A 52 8.985 -2.062 -5.109 1.00 0.39 H new ATOM 0 HB ILE A 52 8.836 0.537 -6.678 1.00 0.41 H new ATOM 0 HG12 ILE A 52 10.842 -0.308 -4.563 1.00 0.46 H new ATOM 0 HG13 ILE A 52 11.176 -0.072 -6.267 1.00 0.46 H new ATOM 0 HG21 ILE A 52 8.382 1.544 -4.443 1.00 0.41 H new ATOM 0 HG22 ILE A 52 7.147 0.343 -4.890 1.00 0.41 H new ATOM 0 HG23 ILE A 52 8.417 -0.081 -3.718 1.00 0.41 H new ATOM 0 HD11 ILE A 52 11.900 1.862 -4.955 1.00 0.50 H new ATOM 0 HD12 ILE A 52 10.585 2.316 -6.065 1.00 0.50 H new ATOM 0 HD13 ILE A 52 10.245 2.076 -4.335 1.00 0.50 H new ATOM 784 N PHE A 53 6.673 -2.543 -6.095 1.00 0.33 N ATOM 785 CA PHE A 53 5.371 -2.810 -6.666 1.00 0.37 C ATOM 786 C PHE A 53 4.324 -3.077 -5.608 1.00 0.31 C ATOM 787 O PHE A 53 4.611 -3.687 -4.564 1.00 0.29 O ATOM 788 CB PHE A 53 5.468 -3.954 -7.696 1.00 0.48 C ATOM 789 CG PHE A 53 6.225 -5.184 -7.221 1.00 1.06 C ATOM 790 CD1 PHE A 53 7.618 -5.219 -7.243 1.00 1.95 C ATOM 791 CD2 PHE A 53 5.555 -6.290 -6.769 1.00 1.15 C ATOM 792 CE1 PHE A 53 8.307 -6.329 -6.816 1.00 2.87 C ATOM 793 CE2 PHE A 53 6.241 -7.409 -6.341 1.00 2.02 C ATOM 794 CZ PHE A 53 7.616 -7.427 -6.363 1.00 2.89 C ATOM 0 H PHE A 53 6.908 -3.110 -5.281 1.00 0.33 H new ATOM 0 HA PHE A 53 5.040 -1.912 -7.188 1.00 0.37 H new ATOM 0 HB2 PHE A 53 4.459 -4.254 -7.980 1.00 0.48 H new ATOM 0 HB3 PHE A 53 5.952 -3.573 -8.595 1.00 0.48 H new ATOM 0 HD1 PHE A 53 8.165 -4.360 -7.602 1.00 1.95 H new ATOM 0 HD2 PHE A 53 4.475 -6.287 -6.747 1.00 1.15 H new ATOM 0 HE1 PHE A 53 9.387 -6.338 -6.836 1.00 2.87 H new ATOM 0 HE2 PHE A 53 5.697 -8.272 -5.988 1.00 2.02 H new ATOM 0 HZ PHE A 53 8.151 -8.302 -6.025 1.00 2.89 H new ATOM 804 N THR A 54 3.124 -2.588 -5.856 1.00 0.35 N ATOM 805 CA THR A 54 2.037 -2.754 -4.938 1.00 0.35 C ATOM 806 C THR A 54 1.306 -4.052 -5.246 1.00 0.35 C ATOM 807 O THR A 54 0.616 -4.173 -6.276 1.00 0.40 O ATOM 808 CB THR A 54 1.054 -1.572 -5.053 1.00 0.39 C ATOM 809 OG1 THR A 54 1.779 -0.344 -4.917 1.00 0.43 O ATOM 810 CG2 THR A 54 -0.009 -1.647 -3.967 1.00 0.44 C ATOM 0 H THR A 54 2.886 -2.067 -6.700 1.00 0.35 H new ATOM 0 HA THR A 54 2.434 -2.786 -3.923 1.00 0.35 H new ATOM 0 HB THR A 54 0.564 -1.617 -6.026 1.00 0.39 H new ATOM 0 HG1 THR A 54 1.159 0.412 -4.991 1.00 0.43 H new ATOM 0 HG21 THR A 54 -0.692 -0.803 -4.067 1.00 0.44 H new ATOM 0 HG22 THR A 54 -0.566 -2.578 -4.067 1.00 0.44 H new ATOM 0 HG23 THR A 54 0.468 -1.613 -2.988 1.00 0.44 H new ATOM 818 N GLU A 55 1.451 -4.999 -4.383 1.00 0.36 N ATOM 819 CA GLU A 55 0.827 -6.258 -4.560 1.00 0.42 C ATOM 820 C GLU A 55 -0.488 -6.296 -3.879 1.00 0.44 C ATOM 821 O GLU A 55 -0.602 -6.004 -2.694 1.00 0.57 O ATOM 822 CB GLU A 55 1.704 -7.388 -4.080 1.00 0.60 C ATOM 823 CG GLU A 55 2.922 -7.595 -4.927 1.00 1.21 C ATOM 824 CD GLU A 55 2.600 -8.085 -6.322 1.00 1.38 C ATOM 825 OE1 GLU A 55 2.085 -7.311 -7.156 1.00 1.67 O ATOM 826 OE2 GLU A 55 2.897 -9.262 -6.605 1.00 2.04 O ATOM 0 H GLU A 55 2.009 -4.918 -3.533 1.00 0.36 H new ATOM 0 HA GLU A 55 0.668 -6.394 -5.630 1.00 0.42 H new ATOM 0 HB2 GLU A 55 2.013 -7.188 -3.054 1.00 0.60 H new ATOM 0 HB3 GLU A 55 1.121 -8.309 -4.063 1.00 0.60 H new ATOM 0 HG2 GLU A 55 3.473 -6.657 -4.996 1.00 1.21 H new ATOM 0 HG3 GLU A 55 3.579 -8.315 -4.438 1.00 1.21 H new ATOM 833 N PHE A 56 -1.470 -6.598 -4.632 1.00 0.52 N ATOM 834 CA PHE A 56 -2.775 -6.784 -4.125 1.00 0.62 C ATOM 835 C PHE A 56 -2.996 -8.255 -4.008 1.00 0.73 C ATOM 836 O PHE A 56 -2.854 -8.983 -5.002 1.00 0.87 O ATOM 837 CB PHE A 56 -3.808 -6.183 -5.070 1.00 0.68 C ATOM 838 CG PHE A 56 -3.753 -4.695 -5.175 1.00 0.63 C ATOM 839 CD1 PHE A 56 -4.435 -3.922 -4.272 1.00 0.69 C ATOM 840 CD2 PHE A 56 -3.028 -4.068 -6.179 1.00 0.61 C ATOM 841 CE1 PHE A 56 -4.408 -2.560 -4.349 1.00 0.69 C ATOM 842 CE2 PHE A 56 -2.993 -2.690 -6.265 1.00 0.59 C ATOM 843 CZ PHE A 56 -3.686 -1.933 -5.344 1.00 0.61 C ATOM 0 H PHE A 56 -1.391 -6.726 -5.641 1.00 0.52 H new ATOM 0 HA PHE A 56 -2.880 -6.291 -3.159 1.00 0.62 H new ATOM 0 HB2 PHE A 56 -3.667 -6.611 -6.063 1.00 0.68 H new ATOM 0 HB3 PHE A 56 -4.803 -6.475 -4.735 1.00 0.68 H new ATOM 0 HD1 PHE A 56 -5.003 -4.399 -3.487 1.00 0.69 H new ATOM 0 HD2 PHE A 56 -2.486 -4.663 -6.899 1.00 0.61 H new ATOM 0 HE1 PHE A 56 -4.954 -1.970 -3.628 1.00 0.69 H new ATOM 0 HE2 PHE A 56 -2.427 -2.208 -7.048 1.00 0.59 H new ATOM 0 HZ PHE A 56 -3.664 -0.855 -5.401 1.00 0.61 H new ATOM 853 N LEU A 57 -3.266 -8.720 -2.826 1.00 0.77 N ATOM 854 CA LEU A 57 -3.535 -10.110 -2.671 1.00 0.93 C ATOM 855 C LEU A 57 -4.989 -10.309 -2.985 1.00 1.04 C ATOM 856 O LEU A 57 -5.770 -9.361 -2.888 1.00 1.04 O ATOM 857 CB LEU A 57 -3.130 -10.632 -1.254 1.00 1.01 C ATOM 858 CG LEU A 57 -3.906 -10.157 -0.009 1.00 0.99 C ATOM 859 CD1 LEU A 57 -5.248 -10.880 0.122 1.00 1.25 C ATOM 860 CD2 LEU A 57 -3.066 -10.373 1.241 1.00 1.16 C ATOM 0 H LEU A 57 -3.305 -8.166 -1.971 1.00 0.77 H new ATOM 0 HA LEU A 57 -2.929 -10.703 -3.356 1.00 0.93 H new ATOM 0 HB2 LEU A 57 -3.191 -11.720 -1.279 1.00 1.01 H new ATOM 0 HB3 LEU A 57 -2.082 -10.375 -1.101 1.00 1.01 H new ATOM 0 HG LEU A 57 -4.112 -9.093 -0.124 1.00 0.99 H new ATOM 0 HD11 LEU A 57 -5.769 -10.522 1.010 1.00 1.25 H new ATOM 0 HD12 LEU A 57 -5.856 -10.681 -0.761 1.00 1.25 H new ATOM 0 HD13 LEU A 57 -5.076 -11.953 0.210 1.00 1.25 H new ATOM 0 HD21 LEU A 57 -3.622 -10.035 2.116 1.00 1.16 H new ATOM 0 HD22 LEU A 57 -2.835 -11.433 1.345 1.00 1.16 H new ATOM 0 HD23 LEU A 57 -2.139 -9.806 1.159 1.00 1.16 H new ATOM 872 N GLU A 58 -5.331 -11.495 -3.375 1.00 1.18 N ATOM 873 CA GLU A 58 -6.678 -11.836 -3.752 1.00 1.31 C ATOM 874 C GLU A 58 -7.541 -12.037 -2.514 1.00 1.24 C ATOM 875 O GLU A 58 -7.407 -13.058 -1.810 1.00 1.32 O ATOM 876 CB GLU A 58 -6.641 -13.085 -4.603 1.00 1.61 C ATOM 877 CG GLU A 58 -5.960 -12.863 -5.946 1.00 2.01 C ATOM 878 CD GLU A 58 -5.823 -14.109 -6.777 1.00 2.65 C ATOM 879 OE1 GLU A 58 -4.684 -14.482 -7.117 1.00 3.36 O ATOM 880 OE2 GLU A 58 -6.837 -14.731 -7.125 1.00 2.90 O ATOM 0 H GLU A 58 -4.675 -12.273 -3.444 1.00 1.18 H new ATOM 0 HA GLU A 58 -7.121 -11.024 -4.329 1.00 1.31 H new ATOM 0 HB2 GLU A 58 -6.118 -13.873 -4.061 1.00 1.61 H new ATOM 0 HB3 GLU A 58 -7.659 -13.435 -4.771 1.00 1.61 H new ATOM 0 HG2 GLU A 58 -6.527 -12.123 -6.511 1.00 2.01 H new ATOM 0 HG3 GLU A 58 -4.969 -12.443 -5.774 1.00 2.01 H new ATOM 887 N PRO A 59 -8.422 -11.075 -2.221 1.00 1.21 N ATOM 888 CA PRO A 59 -9.265 -11.106 -1.046 1.00 1.25 C ATOM 889 C PRO A 59 -10.564 -11.846 -1.325 1.00 1.26 C ATOM 890 O PRO A 59 -10.871 -12.191 -2.477 1.00 1.35 O ATOM 891 CB PRO A 59 -9.539 -9.618 -0.803 1.00 1.37 C ATOM 892 CG PRO A 59 -9.574 -9.007 -2.166 1.00 1.39 C ATOM 893 CD PRO A 59 -8.703 -9.872 -3.051 1.00 1.30 C ATOM 0 HA PRO A 59 -8.809 -11.618 -0.199 1.00 1.25 H new ATOM 0 HB2 PRO A 59 -10.483 -9.470 -0.279 1.00 1.37 H new ATOM 0 HB3 PRO A 59 -8.760 -9.168 -0.188 1.00 1.37 H new ATOM 0 HG2 PRO A 59 -10.595 -8.968 -2.547 1.00 1.39 H new ATOM 0 HG3 PRO A 59 -9.203 -7.982 -2.141 1.00 1.39 H new ATOM 0 HD2 PRO A 59 -9.214 -10.137 -3.976 1.00 1.30 H new ATOM 0 HD3 PRO A 59 -7.784 -9.357 -3.331 1.00 1.30 H new ATOM 901 N ALA A 60 -11.295 -12.112 -0.298 1.00 1.29 N ATOM 902 CA ALA A 60 -12.569 -12.746 -0.434 1.00 1.40 C ATOM 903 C ALA A 60 -13.616 -11.661 -0.495 1.00 1.40 C ATOM 904 O ALA A 60 -13.544 -10.697 0.243 1.00 1.33 O ATOM 905 CB ALA A 60 -12.822 -13.650 0.761 1.00 1.53 C ATOM 0 H ALA A 60 -11.030 -11.897 0.663 1.00 1.29 H new ATOM 0 HA ALA A 60 -12.602 -13.355 -1.337 1.00 1.40 H new ATOM 0 HB1 ALA A 60 -13.794 -14.131 0.654 1.00 1.53 H new ATOM 0 HB2 ALA A 60 -12.044 -14.411 0.813 1.00 1.53 H new ATOM 0 HB3 ALA A 60 -12.810 -13.057 1.675 1.00 1.53 H new ATOM 911 N ALA A 61 -14.606 -11.828 -1.358 1.00 1.55 N ATOM 912 CA ALA A 61 -15.682 -10.833 -1.538 1.00 1.65 C ATOM 913 C ALA A 61 -16.566 -10.738 -0.298 1.00 1.59 C ATOM 914 O ALA A 61 -17.480 -9.915 -0.220 1.00 1.70 O ATOM 915 CB ALA A 61 -16.525 -11.204 -2.730 1.00 1.91 C ATOM 0 H ALA A 61 -14.697 -12.649 -1.956 1.00 1.55 H new ATOM 0 HA ALA A 61 -15.217 -9.861 -1.700 1.00 1.65 H new ATOM 0 HB1 ALA A 61 -17.318 -10.467 -2.859 1.00 1.91 H new ATOM 0 HB2 ALA A 61 -15.902 -11.226 -3.624 1.00 1.91 H new ATOM 0 HB3 ALA A 61 -16.967 -12.188 -2.571 1.00 1.91 H new ATOM 921 N ASN A 62 -16.302 -11.604 0.634 1.00 1.52 N ATOM 922 CA ASN A 62 -16.998 -11.672 1.891 1.00 1.56 C ATOM 923 C ASN A 62 -16.412 -10.664 2.858 1.00 1.33 C ATOM 924 O ASN A 62 -17.096 -10.187 3.765 1.00 1.40 O ATOM 925 CB ASN A 62 -16.853 -13.073 2.477 1.00 1.82 C ATOM 926 CG ASN A 62 -17.386 -14.148 1.561 1.00 2.72 C ATOM 927 OD1 ASN A 62 -16.646 -14.692 0.727 1.00 3.49 O ATOM 928 ND2 ASN A 62 -18.647 -14.464 1.685 1.00 3.19 N ATOM 0 H ASN A 62 -15.571 -12.309 0.540 1.00 1.52 H new ATOM 0 HA ASN A 62 -18.052 -11.448 1.729 1.00 1.56 H new ATOM 0 HB2 ASN A 62 -15.801 -13.268 2.685 1.00 1.82 H new ATOM 0 HB3 ASN A 62 -17.380 -13.120 3.430 1.00 1.82 H new ATOM 0 HD21 ASN A 62 -19.055 -15.180 1.084 1.00 3.19 H new ATOM 0 HD22 ASN A 62 -19.224 -13.994 2.383 1.00 3.19 H new ATOM 935 N GLU A 63 -15.156 -10.314 2.655 1.00 1.20 N ATOM 936 CA GLU A 63 -14.504 -9.403 3.547 1.00 1.07 C ATOM 937 C GLU A 63 -14.567 -8.010 2.947 1.00 0.90 C ATOM 938 O GLU A 63 -14.426 -7.832 1.737 1.00 0.97 O ATOM 939 CB GLU A 63 -13.054 -9.865 3.860 1.00 1.16 C ATOM 940 CG GLU A 63 -12.051 -9.743 2.718 1.00 1.31 C ATOM 941 CD GLU A 63 -10.744 -10.455 2.997 1.00 1.42 C ATOM 942 OE1 GLU A 63 -10.129 -10.192 4.042 1.00 1.48 O ATOM 943 OE2 GLU A 63 -10.274 -11.262 2.152 1.00 1.89 O ATOM 0 H GLU A 63 -14.579 -10.649 1.884 1.00 1.20 H new ATOM 0 HA GLU A 63 -15.018 -9.384 4.508 1.00 1.07 H new ATOM 0 HB2 GLU A 63 -12.684 -9.285 4.705 1.00 1.16 H new ATOM 0 HB3 GLU A 63 -13.087 -10.907 4.178 1.00 1.16 H new ATOM 0 HG2 GLU A 63 -12.493 -10.151 1.809 1.00 1.31 H new ATOM 0 HG3 GLU A 63 -11.850 -8.688 2.530 1.00 1.31 H new ATOM 950 N THR A 64 -14.812 -7.040 3.776 1.00 0.80 N ATOM 951 CA THR A 64 -14.971 -5.668 3.337 1.00 0.74 C ATOM 952 C THR A 64 -13.593 -4.963 3.298 1.00 0.59 C ATOM 953 O THR A 64 -13.488 -3.742 3.158 1.00 0.61 O ATOM 954 CB THR A 64 -15.922 -4.960 4.339 1.00 0.90 C ATOM 955 OG1 THR A 64 -17.046 -5.824 4.580 1.00 1.30 O ATOM 956 CG2 THR A 64 -16.453 -3.641 3.789 1.00 1.15 C ATOM 0 H THR A 64 -14.909 -7.169 4.783 1.00 0.80 H new ATOM 0 HA THR A 64 -15.392 -5.630 2.332 1.00 0.74 H new ATOM 0 HB THR A 64 -15.360 -4.752 5.250 1.00 0.90 H new ATOM 0 HG1 THR A 64 -17.659 -5.395 5.213 1.00 1.30 H new ATOM 0 HG21 THR A 64 -17.114 -3.180 4.523 1.00 1.15 H new ATOM 0 HG22 THR A 64 -15.619 -2.971 3.581 1.00 1.15 H new ATOM 0 HG23 THR A 64 -17.007 -3.827 2.869 1.00 1.15 H new ATOM 964 N VAL A 65 -12.544 -5.754 3.380 1.00 0.53 N ATOM 965 CA VAL A 65 -11.212 -5.232 3.474 1.00 0.45 C ATOM 966 C VAL A 65 -10.379 -5.703 2.297 1.00 0.42 C ATOM 967 O VAL A 65 -10.367 -6.882 1.972 1.00 0.49 O ATOM 968 CB VAL A 65 -10.501 -5.710 4.763 1.00 0.52 C ATOM 969 CG1 VAL A 65 -9.219 -4.934 5.001 1.00 0.50 C ATOM 970 CG2 VAL A 65 -11.417 -5.676 5.975 1.00 0.61 C ATOM 0 H VAL A 65 -12.598 -6.773 3.383 1.00 0.53 H new ATOM 0 HA VAL A 65 -11.300 -4.146 3.484 1.00 0.45 H new ATOM 0 HB VAL A 65 -10.231 -6.755 4.612 1.00 0.52 H new ATOM 0 HG11 VAL A 65 -8.741 -5.291 5.913 1.00 0.50 H new ATOM 0 HG12 VAL A 65 -8.544 -5.079 4.157 1.00 0.50 H new ATOM 0 HG13 VAL A 65 -9.449 -3.874 5.104 1.00 0.50 H new ATOM 0 HG21 VAL A 65 -10.871 -6.020 6.853 1.00 0.61 H new ATOM 0 HG22 VAL A 65 -11.764 -4.656 6.140 1.00 0.61 H new ATOM 0 HG23 VAL A 65 -12.274 -6.327 5.802 1.00 0.61 H new ATOM 980 N ARG A 66 -9.687 -4.792 1.674 1.00 0.37 N ATOM 981 CA ARG A 66 -8.756 -5.134 0.629 1.00 0.36 C ATOM 982 C ARG A 66 -7.400 -5.234 1.275 1.00 0.34 C ATOM 983 O ARG A 66 -7.050 -4.394 2.106 1.00 0.41 O ATOM 984 CB ARG A 66 -8.717 -4.079 -0.477 1.00 0.42 C ATOM 985 CG ARG A 66 -10.016 -3.888 -1.240 1.00 1.13 C ATOM 986 CD ARG A 66 -9.843 -2.865 -2.361 1.00 1.10 C ATOM 987 NE ARG A 66 -8.771 -3.263 -3.296 1.00 0.82 N ATOM 988 CZ ARG A 66 -8.731 -3.013 -4.615 1.00 1.15 C ATOM 989 NH1 ARG A 66 -9.683 -2.286 -5.202 1.00 1.61 N ATOM 990 NH2 ARG A 66 -7.737 -3.510 -5.340 1.00 1.84 N ATOM 0 H ARG A 66 -9.750 -3.794 1.873 1.00 0.37 H new ATOM 0 HA ARG A 66 -9.060 -6.070 0.160 1.00 0.36 H new ATOM 0 HB2 ARG A 66 -8.431 -3.124 -0.035 1.00 0.42 H new ATOM 0 HB3 ARG A 66 -7.935 -4.349 -1.186 1.00 0.42 H new ATOM 0 HG2 ARG A 66 -10.340 -4.841 -1.658 1.00 1.13 H new ATOM 0 HG3 ARG A 66 -10.798 -3.557 -0.557 1.00 1.13 H new ATOM 0 HD2 ARG A 66 -10.781 -2.758 -2.906 1.00 1.10 H new ATOM 0 HD3 ARG A 66 -9.610 -1.890 -1.933 1.00 1.10 H new ATOM 0 HE ARG A 66 -7.984 -3.778 -2.901 1.00 0.82 H new ATOM 0 HH11 ARG A 66 -10.454 -1.912 -4.648 1.00 1.61 H new ATOM 0 HH12 ARG A 66 -9.640 -2.104 -6.205 1.00 1.61 H new ATOM 0 HH21 ARG A 66 -7.014 -4.075 -4.895 1.00 1.84 H new ATOM 0 HH22 ARG A 66 -7.696 -3.327 -6.343 1.00 1.84 H new ATOM 1004 N HIS A 67 -6.650 -6.240 0.935 1.00 0.35 N ATOM 1005 CA HIS A 67 -5.369 -6.460 1.582 1.00 0.39 C ATOM 1006 C HIS A 67 -4.292 -6.545 0.531 1.00 0.35 C ATOM 1007 O HIS A 67 -4.584 -6.838 -0.636 1.00 0.46 O ATOM 1008 CB HIS A 67 -5.368 -7.771 2.385 1.00 0.53 C ATOM 1009 CG HIS A 67 -6.453 -7.922 3.414 1.00 0.69 C ATOM 1010 ND1 HIS A 67 -6.262 -7.764 4.768 1.00 1.08 N ATOM 1011 CD2 HIS A 67 -7.741 -8.279 3.264 1.00 0.72 C ATOM 1012 CE1 HIS A 67 -7.386 -8.023 5.397 1.00 1.16 C ATOM 1013 NE2 HIS A 67 -8.300 -8.338 4.501 1.00 0.90 N ATOM 0 H HIS A 67 -6.892 -6.924 0.218 1.00 0.35 H new ATOM 0 HA HIS A 67 -5.186 -5.629 2.263 1.00 0.39 H new ATOM 0 HB2 HIS A 67 -5.444 -8.602 1.684 1.00 0.53 H new ATOM 0 HB3 HIS A 67 -4.405 -7.864 2.887 1.00 0.53 H new ATOM 0 HD2 HIS A 67 -8.241 -8.482 2.329 1.00 0.72 H new ATOM 0 HE1 HIS A 67 -7.536 -7.984 6.466 1.00 1.16 H new ATOM 0 HE2 HIS A 67 -9.269 -8.586 4.703 1.00 0.90 H new ATOM 1022 N GLY A 68 -3.076 -6.294 0.920 1.00 0.30 N ATOM 1023 CA GLY A 68 -1.982 -6.401 0.011 1.00 0.31 C ATOM 1024 C GLY A 68 -0.686 -6.047 0.676 1.00 0.24 C ATOM 1025 O GLY A 68 -0.639 -5.892 1.894 1.00 0.26 O ATOM 0 H GLY A 68 -2.820 -6.013 1.867 1.00 0.30 H new ATOM 0 HA2 GLY A 68 -1.928 -7.418 -0.378 1.00 0.31 H new ATOM 0 HA3 GLY A 68 -2.148 -5.742 -0.841 1.00 0.31 H new ATOM 1029 N CYS A 69 0.341 -5.880 -0.112 1.00 0.21 N ATOM 1030 CA CYS A 69 1.662 -5.557 0.375 1.00 0.20 C ATOM 1031 C CYS A 69 2.477 -4.825 -0.680 1.00 0.19 C ATOM 1032 O CYS A 69 2.413 -5.149 -1.856 1.00 0.22 O ATOM 1033 CB CYS A 69 2.410 -6.835 0.794 1.00 0.25 C ATOM 1034 SG CYS A 69 4.214 -6.586 1.014 1.00 0.36 S ATOM 0 H CYS A 69 0.287 -5.965 -1.127 1.00 0.21 H new ATOM 0 HA CYS A 69 1.540 -4.904 1.239 1.00 0.20 H new ATOM 0 HB2 CYS A 69 1.986 -7.206 1.727 1.00 0.25 H new ATOM 0 HB3 CYS A 69 2.247 -7.606 0.041 1.00 0.25 H new ATOM 1039 N LEU A 70 3.200 -3.820 -0.263 1.00 0.20 N ATOM 1040 CA LEU A 70 4.145 -3.151 -1.124 1.00 0.22 C ATOM 1041 C LEU A 70 5.464 -3.902 -0.998 1.00 0.23 C ATOM 1042 O LEU A 70 6.091 -3.880 0.072 1.00 0.24 O ATOM 1043 CB LEU A 70 4.342 -1.693 -0.683 1.00 0.24 C ATOM 1044 CG LEU A 70 5.288 -0.845 -1.546 1.00 0.25 C ATOM 1045 CD1 LEU A 70 4.710 -0.610 -2.923 1.00 0.26 C ATOM 1046 CD2 LEU A 70 5.605 0.474 -0.875 1.00 0.28 C ATOM 0 H LEU A 70 3.152 -3.440 0.682 1.00 0.20 H new ATOM 0 HA LEU A 70 3.784 -3.143 -2.152 1.00 0.22 H new ATOM 0 HB2 LEU A 70 3.367 -1.206 -0.664 1.00 0.24 H new ATOM 0 HB3 LEU A 70 4.719 -1.692 0.340 1.00 0.24 H new ATOM 0 HG LEU A 70 6.217 -1.404 -1.657 1.00 0.25 H new ATOM 0 HD11 LEU A 70 5.402 -0.007 -3.510 1.00 0.26 H new ATOM 0 HD12 LEU A 70 4.552 -1.567 -3.419 1.00 0.26 H new ATOM 0 HD13 LEU A 70 3.758 -0.086 -2.834 1.00 0.26 H new ATOM 0 HD21 LEU A 70 6.277 1.053 -1.509 1.00 0.28 H new ATOM 0 HD22 LEU A 70 4.683 1.033 -0.718 1.00 0.28 H new ATOM 0 HD23 LEU A 70 6.084 0.287 0.086 1.00 0.28 H new ATOM 1058 N ARG A 71 5.856 -4.601 -2.036 1.00 0.30 N ATOM 1059 CA ARG A 71 7.082 -5.372 -1.991 1.00 0.35 C ATOM 1060 C ARG A 71 8.197 -4.678 -2.716 1.00 0.36 C ATOM 1061 O ARG A 71 8.014 -4.194 -3.843 1.00 0.42 O ATOM 1062 CB ARG A 71 6.922 -6.804 -2.541 1.00 0.51 C ATOM 1063 CG ARG A 71 6.112 -7.742 -1.659 1.00 1.20 C ATOM 1064 CD ARG A 71 6.174 -9.187 -2.163 1.00 1.20 C ATOM 1065 NE ARG A 71 5.531 -9.375 -3.466 1.00 1.43 N ATOM 1066 CZ ARG A 71 5.732 -10.421 -4.302 1.00 1.80 C ATOM 1067 NH1 ARG A 71 6.695 -11.305 -4.056 1.00 1.98 N ATOM 1068 NH2 ARG A 71 4.987 -10.565 -5.402 1.00 2.68 N ATOM 0 H ARG A 71 5.349 -4.654 -2.920 1.00 0.30 H new ATOM 0 HA ARG A 71 7.333 -5.452 -0.933 1.00 0.35 H new ATOM 0 HB2 ARG A 71 6.448 -6.750 -3.521 1.00 0.51 H new ATOM 0 HB3 ARG A 71 7.913 -7.233 -2.689 1.00 0.51 H new ATOM 0 HG2 ARG A 71 6.488 -7.696 -0.637 1.00 1.20 H new ATOM 0 HG3 ARG A 71 5.074 -7.410 -1.632 1.00 1.20 H new ATOM 0 HD2 ARG A 71 7.217 -9.496 -2.233 1.00 1.20 H new ATOM 0 HD3 ARG A 71 5.696 -9.840 -1.432 1.00 1.20 H new ATOM 0 HE ARG A 71 4.875 -8.655 -3.770 1.00 1.43 H new ATOM 0 HH11 ARG A 71 7.288 -11.197 -3.233 1.00 1.98 H new ATOM 0 HH12 ARG A 71 6.840 -12.090 -4.690 1.00 1.98 H new ATOM 0 HH21 ARG A 71 4.259 -9.884 -5.618 1.00 2.68 H new ATOM 0 HH22 ARG A 71 5.146 -11.356 -6.026 1.00 2.68 H new ATOM 1082 N LEU A 72 9.336 -4.596 -2.065 1.00 0.37 N ATOM 1083 CA LEU A 72 10.517 -4.059 -2.683 1.00 0.42 C ATOM 1084 C LEU A 72 11.587 -5.120 -2.688 1.00 0.44 C ATOM 1085 O LEU A 72 12.107 -5.507 -1.626 1.00 0.49 O ATOM 1086 CB LEU A 72 11.057 -2.752 -2.021 1.00 0.50 C ATOM 1087 CG LEU A 72 10.093 -1.549 -1.950 1.00 0.70 C ATOM 1088 CD1 LEU A 72 9.047 -1.703 -0.854 1.00 1.23 C ATOM 1089 CD2 LEU A 72 10.850 -0.249 -1.791 1.00 0.61 C ATOM 0 H LEU A 72 9.465 -4.899 -1.099 1.00 0.37 H new ATOM 0 HA LEU A 72 10.238 -3.772 -3.697 1.00 0.42 H new ATOM 0 HB2 LEU A 72 11.373 -2.993 -1.006 1.00 0.50 H new ATOM 0 HB3 LEU A 72 11.948 -2.440 -2.566 1.00 0.50 H new ATOM 0 HG LEU A 72 9.559 -1.523 -2.900 1.00 0.70 H new ATOM 0 HD11 LEU A 72 8.395 -0.829 -0.848 1.00 1.23 H new ATOM 0 HD12 LEU A 72 8.453 -2.598 -1.041 1.00 1.23 H new ATOM 0 HD13 LEU A 72 9.543 -1.792 0.112 1.00 1.23 H new ATOM 0 HD21 LEU A 72 10.144 0.580 -1.744 1.00 0.61 H new ATOM 0 HD22 LEU A 72 11.436 -0.279 -0.872 1.00 0.61 H new ATOM 0 HD23 LEU A 72 11.517 -0.110 -2.642 1.00 0.61 H new ATOM 1101 N ASN A 73 11.883 -5.628 -3.865 1.00 0.56 N ATOM 1102 CA ASN A 73 12.932 -6.642 -4.034 1.00 0.72 C ATOM 1103 C ASN A 73 14.317 -6.008 -4.025 1.00 0.73 C ATOM 1104 O ASN A 73 15.337 -6.702 -3.950 1.00 0.87 O ATOM 1105 CB ASN A 73 12.745 -7.452 -5.327 1.00 0.90 C ATOM 1106 CG ASN A 73 11.500 -8.323 -5.332 1.00 1.41 C ATOM 1107 OD1 ASN A 73 11.035 -8.793 -4.291 1.00 2.18 O ATOM 1108 ND2 ASN A 73 10.958 -8.547 -6.493 1.00 1.84 N ATOM 0 H ASN A 73 11.415 -5.361 -4.731 1.00 0.56 H new ATOM 0 HA ASN A 73 12.846 -7.323 -3.188 1.00 0.72 H new ATOM 0 HB2 ASN A 73 12.699 -6.765 -6.172 1.00 0.90 H new ATOM 0 HB3 ASN A 73 13.620 -8.084 -5.478 1.00 0.90 H new ATOM 0 HD21 ASN A 73 10.122 -9.127 -6.562 1.00 1.84 H new ATOM 0 HD22 ASN A 73 11.369 -8.142 -7.334 1.00 1.84 H new ATOM 1115 N GLN A 74 14.357 -4.702 -4.091 1.00 0.66 N ATOM 1116 CA GLN A 74 15.582 -3.966 -4.085 1.00 0.72 C ATOM 1117 C GLN A 74 15.426 -2.803 -3.136 1.00 0.66 C ATOM 1118 O GLN A 74 14.760 -1.827 -3.468 1.00 0.69 O ATOM 1119 CB GLN A 74 15.878 -3.440 -5.483 1.00 0.86 C ATOM 1120 CG GLN A 74 17.135 -2.601 -5.593 1.00 1.58 C ATOM 1121 CD GLN A 74 17.241 -1.935 -6.937 1.00 2.11 C ATOM 1122 OE1 GLN A 74 16.750 -0.823 -7.130 1.00 2.82 O ATOM 1123 NE2 GLN A 74 17.887 -2.573 -7.855 1.00 2.58 N ATOM 0 H GLN A 74 13.524 -4.117 -4.151 1.00 0.66 H new ATOM 0 HA GLN A 74 16.403 -4.610 -3.770 1.00 0.72 H new ATOM 0 HB2 GLN A 74 15.962 -4.287 -6.164 1.00 0.86 H new ATOM 0 HB3 GLN A 74 15.030 -2.844 -5.819 1.00 0.86 H new ATOM 0 HG2 GLN A 74 17.137 -1.843 -4.810 1.00 1.58 H new ATOM 0 HG3 GLN A 74 18.009 -3.231 -5.429 1.00 1.58 H new ATOM 0 HE21 GLN A 74 18.280 -3.493 -7.656 1.00 2.58 H new ATOM 0 HE22 GLN A 74 18.005 -2.157 -8.779 1.00 2.58 H new ATOM 1132 N PRO A 75 15.963 -2.904 -1.936 1.00 0.75 N ATOM 1133 CA PRO A 75 15.938 -1.811 -1.007 1.00 0.84 C ATOM 1134 C PRO A 75 17.168 -0.903 -1.213 1.00 0.81 C ATOM 1135 O PRO A 75 18.308 -1.379 -1.264 1.00 0.83 O ATOM 1136 CB PRO A 75 16.011 -2.510 0.351 1.00 1.06 C ATOM 1137 CG PRO A 75 16.727 -3.809 0.102 1.00 1.25 C ATOM 1138 CD PRO A 75 16.633 -4.099 -1.379 1.00 0.93 C ATOM 0 HA PRO A 75 15.062 -1.171 -1.116 1.00 0.84 H new ATOM 0 HB2 PRO A 75 16.548 -1.900 1.077 1.00 1.06 H new ATOM 0 HB3 PRO A 75 15.014 -2.684 0.756 1.00 1.06 H new ATOM 0 HG2 PRO A 75 17.769 -3.739 0.414 1.00 1.25 H new ATOM 0 HG3 PRO A 75 16.274 -4.614 0.681 1.00 1.25 H new ATOM 0 HD2 PRO A 75 17.619 -4.246 -1.820 1.00 0.93 H new ATOM 0 HD3 PRO A 75 16.059 -5.005 -1.573 1.00 0.93 H new ATOM 1146 N THR A 76 16.951 0.374 -1.334 1.00 0.86 N ATOM 1147 CA THR A 76 18.041 1.314 -1.497 1.00 0.90 C ATOM 1148 C THR A 76 17.783 2.525 -0.610 1.00 0.84 C ATOM 1149 O THR A 76 16.703 2.643 -0.020 1.00 0.79 O ATOM 1150 CB THR A 76 18.183 1.761 -2.972 1.00 1.07 C ATOM 1151 OG1 THR A 76 16.943 2.260 -3.445 1.00 1.17 O ATOM 1152 CG2 THR A 76 18.665 0.632 -3.878 1.00 1.22 C ATOM 0 H THR A 76 16.024 0.799 -1.324 1.00 0.86 H new ATOM 0 HA THR A 76 18.972 0.826 -1.208 1.00 0.90 H new ATOM 0 HB THR A 76 18.938 2.547 -3.002 1.00 1.07 H new ATOM 0 HG1 THR A 76 16.244 1.588 -3.303 1.00 1.17 H new ATOM 0 HG21 THR A 76 18.748 0.997 -4.902 1.00 1.22 H new ATOM 0 HG22 THR A 76 19.640 0.283 -3.537 1.00 1.22 H new ATOM 0 HG23 THR A 76 17.952 -0.192 -3.843 1.00 1.22 H new ATOM 1160 N HIS A 77 18.747 3.433 -0.521 1.00 0.92 N ATOM 1161 CA HIS A 77 18.606 4.598 0.343 1.00 0.94 C ATOM 1162 C HIS A 77 17.733 5.676 -0.286 1.00 0.81 C ATOM 1163 O HIS A 77 17.447 6.694 0.331 1.00 0.85 O ATOM 1164 CB HIS A 77 19.961 5.146 0.878 1.00 1.20 C ATOM 1165 CG HIS A 77 20.906 5.772 -0.126 1.00 1.36 C ATOM 1166 ND1 HIS A 77 21.889 5.071 -0.779 1.00 1.98 N ATOM 1167 CD2 HIS A 77 21.052 7.056 -0.521 1.00 1.62 C ATOM 1168 CE1 HIS A 77 22.595 5.888 -1.529 1.00 2.03 C ATOM 1169 NE2 HIS A 77 22.106 7.101 -1.394 1.00 1.72 N ATOM 0 H HIS A 77 19.628 3.386 -1.032 1.00 0.92 H new ATOM 0 HA HIS A 77 18.078 4.249 1.230 1.00 0.94 H new ATOM 0 HB2 HIS A 77 19.744 5.889 1.645 1.00 1.20 H new ATOM 0 HB3 HIS A 77 20.486 4.326 1.368 1.00 1.20 H new ATOM 0 HD2 HIS A 77 20.448 7.894 -0.206 1.00 1.62 H new ATOM 0 HE1 HIS A 77 23.434 5.610 -2.150 1.00 2.03 H new ATOM 0 HE2 HIS A 77 22.454 7.938 -1.862 1.00 1.72 H new ATOM 1178 N VAL A 78 17.337 5.466 -1.530 1.00 0.83 N ATOM 1179 CA VAL A 78 16.342 6.326 -2.158 1.00 0.92 C ATOM 1180 C VAL A 78 14.946 5.789 -1.855 1.00 0.90 C ATOM 1181 O VAL A 78 13.948 6.431 -2.130 1.00 1.08 O ATOM 1182 CB VAL A 78 16.526 6.513 -3.696 1.00 1.15 C ATOM 1183 CG1 VAL A 78 17.814 7.241 -4.013 1.00 1.33 C ATOM 1184 CG2 VAL A 78 16.459 5.194 -4.439 1.00 1.14 C ATOM 0 H VAL A 78 17.685 4.713 -2.124 1.00 0.83 H new ATOM 0 HA VAL A 78 16.480 7.318 -1.728 1.00 0.92 H new ATOM 0 HB VAL A 78 15.694 7.127 -4.041 1.00 1.15 H new ATOM 0 HG11 VAL A 78 17.911 7.355 -5.093 1.00 1.33 H new ATOM 0 HG12 VAL A 78 17.801 8.225 -3.544 1.00 1.33 H new ATOM 0 HG13 VAL A 78 18.659 6.668 -3.631 1.00 1.33 H new ATOM 0 HG21 VAL A 78 16.592 5.371 -5.506 1.00 1.14 H new ATOM 0 HG22 VAL A 78 17.248 4.533 -4.079 1.00 1.14 H new ATOM 0 HG23 VAL A 78 15.489 4.728 -4.266 1.00 1.14 H new ATOM 1194 N ASN A 79 14.901 4.588 -1.289 1.00 0.78 N ATOM 1195 CA ASN A 79 13.649 3.927 -0.896 1.00 0.90 C ATOM 1196 C ASN A 79 13.525 4.017 0.612 1.00 0.78 C ATOM 1197 O ASN A 79 12.839 3.226 1.246 1.00 0.96 O ATOM 1198 CB ASN A 79 13.671 2.428 -1.273 1.00 1.13 C ATOM 1199 CG ASN A 79 13.895 2.129 -2.743 1.00 1.40 C ATOM 1200 OD1 ASN A 79 14.506 1.116 -3.081 1.00 2.19 O ATOM 1201 ND2 ASN A 79 13.414 2.972 -3.619 1.00 1.22 N ATOM 0 H ASN A 79 15.735 4.037 -1.086 1.00 0.78 H new ATOM 0 HA ASN A 79 12.819 4.414 -1.408 1.00 0.90 H new ATOM 0 HB2 ASN A 79 14.455 1.937 -0.696 1.00 1.13 H new ATOM 0 HB3 ASN A 79 12.725 1.981 -0.969 1.00 1.13 H new ATOM 0 HD21 ASN A 79 13.541 2.799 -4.616 1.00 1.22 H new ATOM 0 HD22 ASN A 79 12.912 3.803 -3.305 1.00 1.22 H new ATOM 1208 N ASN A 80 14.204 4.962 1.181 1.00 0.64 N ATOM 1209 CA ASN A 80 14.255 5.092 2.616 1.00 0.59 C ATOM 1210 C ASN A 80 13.566 6.385 3.015 1.00 0.56 C ATOM 1211 O ASN A 80 13.997 7.470 2.598 1.00 0.88 O ATOM 1212 CB ASN A 80 15.726 5.106 3.061 1.00 0.72 C ATOM 1213 CG ASN A 80 15.909 4.987 4.556 1.00 1.05 C ATOM 1214 OD1 ASN A 80 16.022 3.886 5.072 1.00 1.96 O ATOM 1215 ND2 ASN A 80 15.977 6.095 5.244 1.00 1.43 N ATOM 0 H ASN A 80 14.739 5.666 0.673 1.00 0.64 H new ATOM 0 HA ASN A 80 13.747 4.256 3.097 1.00 0.59 H new ATOM 0 HB2 ASN A 80 16.252 4.285 2.573 1.00 0.72 H new ATOM 0 HB3 ASN A 80 16.191 6.031 2.719 1.00 0.72 H new ATOM 0 HD21 ASN A 80 16.130 6.061 6.252 1.00 1.43 H new ATOM 0 HD22 ASN A 80 15.877 6.994 4.773 1.00 1.43 H new ATOM 1222 N GLY A 81 12.492 6.291 3.770 1.00 0.46 N ATOM 1223 CA GLY A 81 11.792 7.482 4.160 1.00 0.49 C ATOM 1224 C GLY A 81 10.361 7.227 4.551 1.00 0.43 C ATOM 1225 O GLY A 81 10.005 6.118 4.967 1.00 0.40 O ATOM 0 H GLY A 81 12.096 5.418 4.117 1.00 0.46 H new ATOM 0 HA2 GLY A 81 12.314 7.945 4.998 1.00 0.49 H new ATOM 0 HA3 GLY A 81 11.815 8.196 3.336 1.00 0.49 H new ATOM 1229 N ASN A 82 9.542 8.240 4.393 1.00 0.45 N ATOM 1230 CA ASN A 82 8.155 8.189 4.810 1.00 0.44 C ATOM 1231 C ASN A 82 7.282 7.622 3.735 1.00 0.37 C ATOM 1232 O ASN A 82 7.208 8.163 2.637 1.00 0.46 O ATOM 1233 CB ASN A 82 7.617 9.580 5.173 1.00 0.56 C ATOM 1234 CG ASN A 82 8.281 10.207 6.370 1.00 1.27 C ATOM 1235 OD1 ASN A 82 7.855 10.003 7.502 1.00 2.23 O ATOM 1236 ND2 ASN A 82 9.307 10.983 6.135 1.00 1.65 N ATOM 0 H ASN A 82 9.817 9.127 3.971 1.00 0.45 H new ATOM 0 HA ASN A 82 8.129 7.546 5.690 1.00 0.44 H new ATOM 0 HB2 ASN A 82 7.742 10.241 4.315 1.00 0.56 H new ATOM 0 HB3 ASN A 82 6.546 9.504 5.364 1.00 0.56 H new ATOM 0 HD21 ASN A 82 9.785 11.445 6.909 1.00 1.65 H new ATOM 0 HD22 ASN A 82 9.630 11.126 5.178 1.00 1.65 H new ATOM 1243 N TYR A 83 6.627 6.558 4.051 1.00 0.29 N ATOM 1244 CA TYR A 83 5.686 5.921 3.180 1.00 0.27 C ATOM 1245 C TYR A 83 4.288 6.223 3.686 1.00 0.28 C ATOM 1246 O TYR A 83 3.960 5.924 4.811 1.00 0.47 O ATOM 1247 CB TYR A 83 5.948 4.400 3.142 1.00 0.34 C ATOM 1248 CG TYR A 83 7.158 4.003 2.327 1.00 0.38 C ATOM 1249 CD1 TYR A 83 7.003 3.419 1.080 1.00 0.60 C ATOM 1250 CD2 TYR A 83 8.449 4.225 2.786 1.00 0.49 C ATOM 1251 CE1 TYR A 83 8.094 3.071 0.317 1.00 0.69 C ATOM 1252 CE2 TYR A 83 9.544 3.874 2.026 1.00 0.55 C ATOM 1253 CZ TYR A 83 9.356 3.297 0.790 1.00 0.60 C ATOM 1254 OH TYR A 83 10.435 2.974 0.013 1.00 0.69 O ATOM 0 H TYR A 83 6.731 6.088 4.950 1.00 0.29 H new ATOM 0 HA TYR A 83 5.791 6.299 2.163 1.00 0.27 H new ATOM 0 HB2 TYR A 83 6.076 4.038 4.162 1.00 0.34 H new ATOM 0 HB3 TYR A 83 5.069 3.901 2.735 1.00 0.34 H new ATOM 0 HD1 TYR A 83 6.009 3.234 0.700 1.00 0.60 H new ATOM 0 HD2 TYR A 83 8.598 4.680 3.754 1.00 0.49 H new ATOM 0 HE1 TYR A 83 7.953 2.620 -0.654 1.00 0.69 H new ATOM 0 HE2 TYR A 83 10.543 4.050 2.397 1.00 0.55 H new ATOM 0 HH TYR A 83 11.221 2.842 0.583 1.00 0.69 H new ATOM 1264 N THR A 84 3.504 6.876 2.908 1.00 0.22 N ATOM 1265 CA THR A 84 2.164 7.204 3.311 1.00 0.23 C ATOM 1266 C THR A 84 1.166 6.641 2.297 1.00 0.22 C ATOM 1267 O THR A 84 1.291 6.897 1.107 1.00 0.26 O ATOM 1268 CB THR A 84 2.015 8.742 3.421 1.00 0.27 C ATOM 1269 OG1 THR A 84 3.095 9.266 4.230 1.00 0.34 O ATOM 1270 CG2 THR A 84 0.684 9.125 4.061 1.00 0.33 C ATOM 0 H THR A 84 3.761 7.202 1.976 1.00 0.22 H new ATOM 0 HA THR A 84 1.959 6.761 4.285 1.00 0.23 H new ATOM 0 HB THR A 84 2.048 9.163 2.416 1.00 0.27 H new ATOM 0 HG1 THR A 84 3.007 10.239 4.302 1.00 0.34 H new ATOM 0 HG21 THR A 84 0.610 10.211 4.124 1.00 0.33 H new ATOM 0 HG22 THR A 84 -0.136 8.740 3.454 1.00 0.33 H new ATOM 0 HG23 THR A 84 0.626 8.699 5.062 1.00 0.33 H new ATOM 1278 N LEU A 85 0.218 5.857 2.758 1.00 0.20 N ATOM 1279 CA LEU A 85 -0.793 5.305 1.881 1.00 0.19 C ATOM 1280 C LEU A 85 -2.024 6.168 1.970 1.00 0.18 C ATOM 1281 O LEU A 85 -2.600 6.336 3.054 1.00 0.19 O ATOM 1282 CB LEU A 85 -1.139 3.845 2.247 1.00 0.20 C ATOM 1283 CG LEU A 85 -2.181 3.145 1.353 1.00 0.20 C ATOM 1284 CD1 LEU A 85 -1.695 3.066 -0.061 1.00 0.21 C ATOM 1285 CD2 LEU A 85 -2.477 1.753 1.855 1.00 0.22 C ATOM 0 H LEU A 85 0.125 5.586 3.737 1.00 0.20 H new ATOM 0 HA LEU A 85 -0.405 5.295 0.862 1.00 0.19 H new ATOM 0 HB2 LEU A 85 -0.220 3.260 2.224 1.00 0.20 H new ATOM 0 HB3 LEU A 85 -1.502 3.827 3.274 1.00 0.20 H new ATOM 0 HG LEU A 85 -3.095 3.737 1.389 1.00 0.20 H new ATOM 0 HD11 LEU A 85 -2.445 2.569 -0.676 1.00 0.21 H new ATOM 0 HD12 LEU A 85 -1.522 4.072 -0.443 1.00 0.21 H new ATOM 0 HD13 LEU A 85 -0.764 2.500 -0.095 1.00 0.21 H new ATOM 0 HD21 LEU A 85 -3.215 1.282 1.206 1.00 0.22 H new ATOM 0 HD22 LEU A 85 -1.561 1.162 1.851 1.00 0.22 H new ATOM 0 HD23 LEU A 85 -2.869 1.808 2.871 1.00 0.22 H new ATOM 1297 N LEU A 86 -2.378 6.755 0.869 1.00 0.20 N ATOM 1298 CA LEU A 86 -3.537 7.597 0.784 1.00 0.22 C ATOM 1299 C LEU A 86 -4.599 6.868 0.012 1.00 0.22 C ATOM 1300 O LEU A 86 -4.309 6.263 -1.024 1.00 0.27 O ATOM 1301 CB LEU A 86 -3.240 8.937 0.051 1.00 0.28 C ATOM 1302 CG LEU A 86 -2.191 9.903 0.644 1.00 0.32 C ATOM 1303 CD1 LEU A 86 -2.460 10.208 2.098 1.00 0.36 C ATOM 1304 CD2 LEU A 86 -0.773 9.413 0.435 1.00 0.32 C ATOM 0 H LEU A 86 -1.866 6.664 -0.008 1.00 0.20 H new ATOM 0 HA LEU A 86 -3.857 7.828 1.800 1.00 0.22 H new ATOM 0 HB2 LEU A 86 -2.925 8.693 -0.964 1.00 0.28 H new ATOM 0 HB3 LEU A 86 -4.180 9.483 -0.029 1.00 0.28 H new ATOM 0 HG LEU A 86 -2.290 10.838 0.092 1.00 0.32 H new ATOM 0 HD11 LEU A 86 -1.698 10.891 2.474 1.00 0.36 H new ATOM 0 HD12 LEU A 86 -3.442 10.670 2.197 1.00 0.36 H new ATOM 0 HD13 LEU A 86 -2.435 9.283 2.674 1.00 0.36 H new ATOM 0 HD21 LEU A 86 -0.074 10.127 0.870 1.00 0.32 H new ATOM 0 HD22 LEU A 86 -0.648 8.443 0.917 1.00 0.32 H new ATOM 0 HD23 LEU A 86 -0.575 9.315 -0.632 1.00 0.32 H new ATOM 1316 N ALA A 87 -5.789 6.875 0.521 1.00 0.21 N ATOM 1317 CA ALA A 87 -6.905 6.329 -0.181 1.00 0.23 C ATOM 1318 C ALA A 87 -7.933 7.423 -0.331 1.00 0.29 C ATOM 1319 O ALA A 87 -8.417 7.962 0.663 1.00 0.31 O ATOM 1320 CB ALA A 87 -7.485 5.151 0.589 1.00 0.24 C ATOM 0 H ALA A 87 -6.015 7.261 1.438 1.00 0.21 H new ATOM 0 HA ALA A 87 -6.599 5.965 -1.162 1.00 0.23 H new ATOM 0 HB1 ALA A 87 -8.336 4.743 0.043 1.00 0.24 H new ATOM 0 HB2 ALA A 87 -6.723 4.380 0.702 1.00 0.24 H new ATOM 0 HB3 ALA A 87 -7.812 5.485 1.574 1.00 0.24 H new ATOM 1326 N ALA A 88 -8.263 7.748 -1.545 1.00 0.36 N ATOM 1327 CA ALA A 88 -9.229 8.792 -1.819 1.00 0.45 C ATOM 1328 C ALA A 88 -10.443 8.179 -2.450 1.00 0.37 C ATOM 1329 O ALA A 88 -10.313 7.356 -3.354 1.00 0.37 O ATOM 1330 CB ALA A 88 -8.626 9.849 -2.732 1.00 0.61 C ATOM 0 H ALA A 88 -7.876 7.304 -2.378 1.00 0.36 H new ATOM 0 HA ALA A 88 -9.513 9.279 -0.886 1.00 0.45 H new ATOM 0 HB1 ALA A 88 -9.365 10.626 -2.927 1.00 0.61 H new ATOM 0 HB2 ALA A 88 -7.754 10.291 -2.250 1.00 0.61 H new ATOM 0 HB3 ALA A 88 -8.326 9.388 -3.673 1.00 0.61 H new ATOM 1336 N ASN A 89 -11.604 8.534 -1.963 1.00 0.49 N ATOM 1337 CA ASN A 89 -12.850 7.967 -2.452 1.00 0.58 C ATOM 1338 C ASN A 89 -13.984 8.980 -2.242 1.00 0.57 C ATOM 1339 O ASN A 89 -13.746 10.003 -1.598 1.00 0.55 O ATOM 1340 CB ASN A 89 -13.155 6.642 -1.702 1.00 0.86 C ATOM 1341 CG ASN A 89 -13.444 6.845 -0.229 1.00 0.59 C ATOM 1342 OD1 ASN A 89 -14.584 7.013 0.166 1.00 0.71 O ATOM 1343 ND2 ASN A 89 -12.419 6.843 0.582 1.00 1.18 N ATOM 0 H ASN A 89 -11.720 9.221 -1.219 1.00 0.49 H new ATOM 0 HA ASN A 89 -12.763 7.748 -3.516 1.00 0.58 H new ATOM 0 HB2 ASN A 89 -14.011 6.155 -2.170 1.00 0.86 H new ATOM 0 HB3 ASN A 89 -12.306 5.967 -1.810 1.00 0.86 H new ATOM 0 HD21 ASN A 89 -12.560 6.985 1.582 1.00 1.18 H new ATOM 0 HD22 ASN A 89 -11.478 6.699 0.215 1.00 1.18 H new ATOM 1350 N PRO A 90 -15.203 8.761 -2.792 1.00 0.64 N ATOM 1351 CA PRO A 90 -16.348 9.693 -2.613 1.00 0.68 C ATOM 1352 C PRO A 90 -16.632 10.087 -1.138 1.00 0.56 C ATOM 1353 O PRO A 90 -16.919 11.251 -0.845 1.00 0.63 O ATOM 1354 CB PRO A 90 -17.513 8.895 -3.191 1.00 0.81 C ATOM 1355 CG PRO A 90 -16.893 8.078 -4.258 1.00 1.00 C ATOM 1356 CD PRO A 90 -15.570 7.643 -3.703 1.00 0.74 C ATOM 0 HA PRO A 90 -16.159 10.652 -3.095 1.00 0.68 H new ATOM 0 HB2 PRO A 90 -17.984 8.270 -2.432 1.00 0.81 H new ATOM 0 HB3 PRO A 90 -18.287 9.551 -3.589 1.00 0.81 H new ATOM 0 HG2 PRO A 90 -17.516 7.219 -4.509 1.00 1.00 H new ATOM 0 HG3 PRO A 90 -16.765 8.657 -5.173 1.00 1.00 H new ATOM 0 HD2 PRO A 90 -15.649 6.696 -3.168 1.00 0.74 H new ATOM 0 HD3 PRO A 90 -14.829 7.504 -4.490 1.00 0.74 H new ATOM 1364 N CYS A 91 -16.505 9.129 -0.225 1.00 0.50 N ATOM 1365 CA CYS A 91 -16.786 9.352 1.204 1.00 0.50 C ATOM 1366 C CYS A 91 -15.737 10.255 1.856 1.00 0.46 C ATOM 1367 O CYS A 91 -16.041 11.038 2.777 1.00 0.61 O ATOM 1368 CB CYS A 91 -16.868 8.011 1.954 1.00 0.61 C ATOM 1369 SG CYS A 91 -16.994 8.151 3.775 1.00 1.10 S ATOM 0 H CYS A 91 -16.207 8.179 -0.445 1.00 0.50 H new ATOM 0 HA CYS A 91 -17.749 9.858 1.270 1.00 0.50 H new ATOM 0 HB2 CYS A 91 -17.732 7.458 1.586 1.00 0.61 H new ATOM 0 HB3 CYS A 91 -15.985 7.421 1.710 1.00 0.61 H new ATOM 1374 N GLY A 92 -14.521 10.175 1.385 1.00 0.46 N ATOM 1375 CA GLY A 92 -13.490 10.965 1.954 1.00 0.58 C ATOM 1376 C GLY A 92 -12.141 10.440 1.623 1.00 0.49 C ATOM 1377 O GLY A 92 -11.929 9.889 0.539 1.00 0.59 O ATOM 0 H GLY A 92 -14.233 9.572 0.614 1.00 0.46 H new ATOM 0 HA2 GLY A 92 -13.578 11.990 1.595 1.00 0.58 H new ATOM 0 HA3 GLY A 92 -13.612 10.995 3.037 1.00 0.58 H new ATOM 1381 N GLN A 93 -11.241 10.587 2.531 1.00 0.46 N ATOM 1382 CA GLN A 93 -9.905 10.156 2.336 1.00 0.42 C ATOM 1383 C GLN A 93 -9.406 9.509 3.599 1.00 0.41 C ATOM 1384 O GLN A 93 -9.717 9.963 4.700 1.00 0.56 O ATOM 1385 CB GLN A 93 -9.037 11.369 1.897 1.00 0.53 C ATOM 1386 CG GLN A 93 -7.546 11.101 1.649 1.00 0.58 C ATOM 1387 CD GLN A 93 -6.652 11.362 2.859 1.00 0.92 C ATOM 1388 OE1 GLN A 93 -7.047 11.216 4.007 1.00 1.57 O ATOM 1389 NE2 GLN A 93 -5.450 11.774 2.600 1.00 1.33 N ATOM 0 H GLN A 93 -11.416 11.015 3.440 1.00 0.46 H new ATOM 0 HA GLN A 93 -9.845 9.410 1.544 1.00 0.42 H new ATOM 0 HB2 GLN A 93 -9.465 11.779 0.982 1.00 0.53 H new ATOM 0 HB3 GLN A 93 -9.121 12.141 2.662 1.00 0.53 H new ATOM 0 HG2 GLN A 93 -7.422 10.064 1.337 1.00 0.58 H new ATOM 0 HG3 GLN A 93 -7.209 11.725 0.821 1.00 0.58 H new ATOM 0 HE21 GLN A 93 -5.147 11.887 1.633 1.00 1.33 H new ATOM 0 HE22 GLN A 93 -4.808 11.985 3.364 1.00 1.33 H new ATOM 1398 N ALA A 94 -8.703 8.433 3.448 1.00 0.30 N ATOM 1399 CA ALA A 94 -8.076 7.765 4.547 1.00 0.33 C ATOM 1400 C ALA A 94 -6.601 7.748 4.296 1.00 0.31 C ATOM 1401 O ALA A 94 -6.167 7.670 3.139 1.00 0.30 O ATOM 1402 CB ALA A 94 -8.578 6.355 4.666 1.00 0.37 C ATOM 0 H ALA A 94 -8.545 7.985 2.545 1.00 0.30 H new ATOM 0 HA ALA A 94 -8.307 8.289 5.475 1.00 0.33 H new ATOM 0 HB1 ALA A 94 -8.089 5.864 5.508 1.00 0.37 H new ATOM 0 HB2 ALA A 94 -9.656 6.365 4.828 1.00 0.37 H new ATOM 0 HB3 ALA A 94 -8.354 5.810 3.749 1.00 0.37 H new ATOM 1408 N SER A 95 -5.834 7.826 5.330 1.00 0.36 N ATOM 1409 CA SER A 95 -4.423 7.815 5.195 1.00 0.37 C ATOM 1410 C SER A 95 -3.793 7.061 6.343 1.00 0.38 C ATOM 1411 O SER A 95 -4.394 6.942 7.424 1.00 0.57 O ATOM 1412 CB SER A 95 -3.905 9.254 5.130 1.00 0.43 C ATOM 1413 OG SER A 95 -4.352 10.009 6.248 1.00 0.50 O ATOM 0 H SER A 95 -6.170 7.899 6.290 1.00 0.36 H new ATOM 0 HA SER A 95 -4.150 7.305 4.271 1.00 0.37 H new ATOM 0 HB2 SER A 95 -2.815 9.251 5.102 1.00 0.43 H new ATOM 0 HB3 SER A 95 -4.247 9.726 4.209 1.00 0.43 H new ATOM 0 HG SER A 95 -4.006 10.924 6.184 1.00 0.50 H new ATOM 1419 N ALA A 96 -2.646 6.507 6.104 1.00 0.27 N ATOM 1420 CA ALA A 96 -1.855 5.859 7.114 1.00 0.27 C ATOM 1421 C ALA A 96 -0.416 6.027 6.715 1.00 0.23 C ATOM 1422 O ALA A 96 -0.110 6.056 5.517 1.00 0.26 O ATOM 1423 CB ALA A 96 -2.219 4.383 7.243 1.00 0.30 C ATOM 0 H ALA A 96 -2.219 6.490 5.178 1.00 0.27 H new ATOM 0 HA ALA A 96 -2.041 6.306 8.090 1.00 0.27 H new ATOM 0 HB1 ALA A 96 -1.603 3.922 8.015 1.00 0.30 H new ATOM 0 HB2 ALA A 96 -3.271 4.290 7.515 1.00 0.30 H new ATOM 0 HB3 ALA A 96 -2.044 3.881 6.292 1.00 0.30 H new ATOM 1429 N SER A 97 0.445 6.183 7.658 1.00 0.26 N ATOM 1430 CA SER A 97 1.819 6.395 7.364 1.00 0.28 C ATOM 1431 C SER A 97 2.720 5.344 8.009 1.00 0.25 C ATOM 1432 O SER A 97 2.426 4.816 9.086 1.00 0.38 O ATOM 1433 CB SER A 97 2.199 7.824 7.740 1.00 0.41 C ATOM 1434 OG SER A 97 1.584 8.194 8.970 1.00 1.26 O ATOM 0 H SER A 97 0.218 6.167 8.652 1.00 0.26 H new ATOM 0 HA SER A 97 1.976 6.274 6.292 1.00 0.28 H new ATOM 0 HB2 SER A 97 3.282 7.908 7.828 1.00 0.41 H new ATOM 0 HB3 SER A 97 1.889 8.509 6.951 1.00 0.41 H new ATOM 0 HG SER A 97 1.838 9.112 9.200 1.00 1.26 H new ATOM 1440 N ILE A 98 3.762 5.025 7.310 1.00 0.25 N ATOM 1441 CA ILE A 98 4.761 4.068 7.693 1.00 0.28 C ATOM 1442 C ILE A 98 6.135 4.674 7.441 1.00 0.28 C ATOM 1443 O ILE A 98 6.429 5.139 6.349 1.00 0.30 O ATOM 1444 CB ILE A 98 4.556 2.677 6.928 1.00 0.36 C ATOM 1445 CG1 ILE A 98 5.861 1.892 6.711 1.00 0.72 C ATOM 1446 CG2 ILE A 98 3.847 2.850 5.602 1.00 0.39 C ATOM 1447 CD1 ILE A 98 6.565 1.467 7.945 1.00 0.37 C ATOM 0 H ILE A 98 3.953 5.449 6.402 1.00 0.25 H new ATOM 0 HA ILE A 98 4.670 3.840 8.755 1.00 0.28 H new ATOM 0 HB ILE A 98 3.926 2.090 7.597 1.00 0.36 H new ATOM 0 HG12 ILE A 98 5.636 1.005 6.118 1.00 0.72 H new ATOM 0 HG13 ILE A 98 6.540 2.507 6.120 1.00 0.72 H new ATOM 0 HG21 ILE A 98 3.732 1.878 5.122 1.00 0.39 H new ATOM 0 HG22 ILE A 98 2.864 3.291 5.770 1.00 0.39 H new ATOM 0 HG23 ILE A 98 4.434 3.506 4.959 1.00 0.39 H new ATOM 0 HD11 ILE A 98 7.471 0.922 7.678 1.00 0.37 H new ATOM 0 HD12 ILE A 98 6.830 2.345 8.534 1.00 0.37 H new ATOM 0 HD13 ILE A 98 5.913 0.820 8.532 1.00 0.37 H new ATOM 1459 N MET A 99 6.943 4.707 8.452 1.00 0.34 N ATOM 1460 CA MET A 99 8.274 5.233 8.307 1.00 0.41 C ATOM 1461 C MET A 99 9.199 4.075 8.076 1.00 0.40 C ATOM 1462 O MET A 99 9.627 3.410 9.020 1.00 0.51 O ATOM 1463 CB MET A 99 8.703 6.042 9.537 1.00 0.59 C ATOM 1464 CG MET A 99 10.094 6.643 9.408 1.00 0.85 C ATOM 1465 SD MET A 99 10.219 7.734 7.985 1.00 1.25 S ATOM 1466 CE MET A 99 11.931 8.221 8.071 1.00 1.18 C ATOM 0 H MET A 99 6.710 4.378 9.389 1.00 0.34 H new ATOM 0 HA MET A 99 8.307 5.921 7.462 1.00 0.41 H new ATOM 0 HB2 MET A 99 7.983 6.843 9.705 1.00 0.59 H new ATOM 0 HB3 MET A 99 8.674 5.397 10.415 1.00 0.59 H new ATOM 0 HG2 MET A 99 10.336 7.198 10.314 1.00 0.85 H new ATOM 0 HG3 MET A 99 10.829 5.843 9.319 1.00 0.85 H new ATOM 0 HE1 MET A 99 12.158 8.901 7.249 1.00 1.18 H new ATOM 0 HE2 MET A 99 12.119 8.723 9.020 1.00 1.18 H new ATOM 0 HE3 MET A 99 12.565 7.337 7.996 1.00 1.18 H new ATOM 1476 N ALA A 100 9.492 3.813 6.843 1.00 0.42 N ATOM 1477 CA ALA A 100 10.252 2.655 6.517 1.00 0.48 C ATOM 1478 C ALA A 100 11.682 3.001 6.230 1.00 0.48 C ATOM 1479 O ALA A 100 11.995 3.686 5.244 1.00 0.57 O ATOM 1480 CB ALA A 100 9.628 1.922 5.348 1.00 0.58 C ATOM 0 H ALA A 100 9.215 4.387 6.046 1.00 0.42 H new ATOM 0 HA ALA A 100 10.243 1.994 7.383 1.00 0.48 H new ATOM 0 HB1 ALA A 100 10.223 1.039 5.113 1.00 0.58 H new ATOM 0 HB2 ALA A 100 8.614 1.618 5.609 1.00 0.58 H new ATOM 0 HB3 ALA A 100 9.597 2.581 4.480 1.00 0.58 H new ATOM 1486 N ALA A 101 12.545 2.548 7.089 1.00 0.56 N ATOM 1487 CA ALA A 101 13.940 2.701 6.888 1.00 0.65 C ATOM 1488 C ALA A 101 14.491 1.339 6.550 1.00 0.66 C ATOM 1489 O ALA A 101 14.680 0.493 7.431 1.00 0.77 O ATOM 1490 CB ALA A 101 14.599 3.260 8.142 1.00 0.84 C ATOM 0 H ALA A 101 12.293 2.061 7.949 1.00 0.56 H new ATOM 0 HA ALA A 101 14.143 3.404 6.080 1.00 0.65 H new ATOM 0 HB1 ALA A 101 15.670 3.372 7.971 1.00 0.84 H new ATOM 0 HB2 ALA A 101 14.166 4.232 8.378 1.00 0.84 H new ATOM 0 HB3 ALA A 101 14.434 2.577 8.975 1.00 0.84 H new ATOM 1496 N PHE A 102 14.694 1.107 5.284 1.00 0.75 N ATOM 1497 CA PHE A 102 15.196 -0.186 4.827 1.00 0.87 C ATOM 1498 C PHE A 102 16.720 -0.365 4.986 1.00 1.20 C ATOM 1499 O PHE A 102 17.196 -1.499 5.089 1.00 2.05 O ATOM 1500 CB PHE A 102 14.781 -0.464 3.376 1.00 0.97 C ATOM 1501 CG PHE A 102 13.291 -0.441 3.135 1.00 1.69 C ATOM 1502 CD1 PHE A 102 12.435 -1.099 3.991 1.00 2.20 C ATOM 1503 CD2 PHE A 102 12.752 0.232 2.052 1.00 2.45 C ATOM 1504 CE1 PHE A 102 11.072 -1.085 3.778 1.00 3.25 C ATOM 1505 CE2 PHE A 102 11.389 0.251 1.834 1.00 3.51 C ATOM 1506 CZ PHE A 102 10.554 -0.391 2.680 1.00 3.86 C ATOM 0 H PHE A 102 14.524 1.785 4.541 1.00 0.75 H new ATOM 0 HA PHE A 102 14.731 -0.919 5.486 1.00 0.87 H new ATOM 0 HB2 PHE A 102 15.252 0.276 2.729 1.00 0.97 H new ATOM 0 HB3 PHE A 102 15.169 -1.439 3.081 1.00 0.97 H new ATOM 0 HD1 PHE A 102 12.836 -1.633 4.840 1.00 2.20 H new ATOM 0 HD2 PHE A 102 13.408 0.750 1.368 1.00 2.45 H new ATOM 0 HE1 PHE A 102 10.410 -1.606 4.454 1.00 3.25 H new ATOM 0 HE2 PHE A 102 10.988 0.782 0.983 1.00 3.51 H new ATOM 0 HZ PHE A 102 9.488 -0.368 2.509 1.00 3.86 H new ATOM 1516 N MET A 103 17.480 0.728 5.018 1.00 1.13 N ATOM 1517 CA MET A 103 18.922 0.655 5.073 1.00 1.42 C ATOM 1518 C MET A 103 19.373 1.696 6.055 1.00 1.77 C ATOM 1519 O MET A 103 18.740 2.754 6.141 1.00 2.31 O ATOM 1520 CB MET A 103 19.536 1.030 3.697 1.00 1.94 C ATOM 1521 CG MET A 103 19.050 0.225 2.488 1.00 2.66 C ATOM 1522 SD MET A 103 19.437 -1.535 2.563 1.00 3.68 S ATOM 1523 CE MET A 103 21.226 -1.505 2.597 1.00 4.72 C ATOM 0 H MET A 103 17.108 1.678 5.006 1.00 1.13 H new ATOM 0 HA MET A 103 19.231 -0.353 5.349 1.00 1.42 H new ATOM 0 HB2 MET A 103 19.332 2.084 3.509 1.00 1.94 H new ATOM 0 HB3 MET A 103 20.618 0.922 3.766 1.00 1.94 H new ATOM 0 HG2 MET A 103 17.970 0.344 2.397 1.00 2.66 H new ATOM 0 HG3 MET A 103 19.494 0.644 1.585 1.00 2.66 H new ATOM 0 HE1 MET A 103 21.611 -2.497 2.359 1.00 4.72 H new ATOM 0 HE2 MET A 103 21.592 -0.788 1.862 1.00 4.72 H new ATOM 0 HE3 MET A 103 21.566 -1.213 3.590 1.00 4.72 H new ATOM 1533 N ASP A 104 20.407 1.417 6.813 1.00 2.30 N ATOM 1534 CA ASP A 104 20.984 2.440 7.655 1.00 3.13 C ATOM 1535 C ASP A 104 21.816 3.302 6.771 1.00 2.91 C ATOM 1536 O ASP A 104 22.858 2.869 6.269 1.00 2.44 O ATOM 1537 CB ASP A 104 21.832 1.868 8.804 1.00 4.12 C ATOM 1538 CG ASP A 104 21.006 1.304 9.939 1.00 4.81 C ATOM 1539 OD1 ASP A 104 20.723 0.085 9.931 1.00 5.16 O ATOM 1540 OD2 ASP A 104 20.587 2.067 10.840 1.00 5.33 O ATOM 0 H ASP A 104 20.861 0.505 6.865 1.00 2.30 H new ATOM 0 HA ASP A 104 20.185 3.003 8.138 1.00 3.13 H new ATOM 0 HB2 ASP A 104 22.480 1.084 8.412 1.00 4.12 H new ATOM 0 HB3 ASP A 104 22.481 2.653 9.192 1.00 4.12 H new ATOM 1545 N ASN A 105 21.351 4.500 6.569 1.00 3.53 N ATOM 1546 CA ASN A 105 21.930 5.415 5.614 1.00 3.62 C ATOM 1547 C ASN A 105 23.147 6.125 6.171 1.00 4.15 C ATOM 1548 O ASN A 105 23.027 6.930 7.107 1.00 4.99 O ATOM 1549 CB ASN A 105 20.876 6.446 5.167 1.00 4.36 C ATOM 1550 CG ASN A 105 21.396 7.418 4.117 1.00 4.74 C ATOM 1551 OD1 ASN A 105 21.314 7.158 2.918 1.00 4.89 O ATOM 1552 ND2 ASN A 105 21.907 8.538 4.544 1.00 5.34 N ATOM 0 H ASN A 105 20.547 4.880 7.068 1.00 3.53 H new ATOM 0 HA ASN A 105 22.258 4.829 4.755 1.00 3.62 H new ATOM 0 HB2 ASN A 105 20.009 5.920 4.768 1.00 4.36 H new ATOM 0 HB3 ASN A 105 20.535 7.008 6.036 1.00 4.36 H new ATOM 0 HD21 ASN A 105 22.253 9.228 3.877 1.00 5.34 H new ATOM 0 HD22 ASN A 105 21.961 8.725 5.545 1.00 5.34 H new ATOM 1559 N PRO A 106 24.337 5.847 5.622 1.00 3.83 N ATOM 1560 CA PRO A 106 25.540 6.541 6.009 1.00 4.48 C ATOM 1561 C PRO A 106 25.516 7.944 5.438 1.00 5.07 C ATOM 1562 O PRO A 106 25.348 8.116 4.225 1.00 4.97 O ATOM 1563 CB PRO A 106 26.680 5.733 5.361 1.00 4.12 C ATOM 1564 CG PRO A 106 26.041 4.511 4.794 1.00 3.35 C ATOM 1565 CD PRO A 106 24.601 4.844 4.583 1.00 3.04 C ATOM 0 HA PRO A 106 25.652 6.622 7.090 1.00 4.48 H new ATOM 0 HB2 PRO A 106 27.176 6.312 4.582 1.00 4.12 H new ATOM 0 HB3 PRO A 106 27.441 5.471 6.096 1.00 4.12 H new ATOM 0 HG2 PRO A 106 26.515 4.226 3.855 1.00 3.35 H new ATOM 0 HG3 PRO A 106 26.148 3.666 5.474 1.00 3.35 H new ATOM 0 HD2 PRO A 106 24.421 5.241 3.584 1.00 3.04 H new ATOM 0 HD3 PRO A 106 23.963 3.967 4.697 1.00 3.04 H new ATOM 1573 N PHE A 107 25.657 8.916 6.311 1.00 5.92 N ATOM 1574 CA PHE A 107 25.672 10.335 5.978 1.00 6.71 C ATOM 1575 C PHE A 107 24.323 10.766 5.414 1.00 7.07 C ATOM 1576 O PHE A 107 24.148 10.829 4.185 1.00 7.41 O ATOM 1577 CB PHE A 107 26.834 10.690 5.027 1.00 7.09 C ATOM 1578 CG PHE A 107 28.186 10.289 5.556 1.00 7.78 C ATOM 1579 CD1 PHE A 107 28.787 11.010 6.569 1.00 8.28 C ATOM 1580 CD2 PHE A 107 28.849 9.182 5.041 1.00 8.18 C ATOM 1581 CE1 PHE A 107 30.021 10.640 7.061 1.00 9.14 C ATOM 1582 CE2 PHE A 107 30.084 8.809 5.529 1.00 9.05 C ATOM 1583 CZ PHE A 107 30.671 9.538 6.541 1.00 9.52 C ATOM 1584 OXT PHE A 107 23.396 11.006 6.217 1.00 7.30 O ATOM 0 H PHE A 107 25.769 8.741 7.310 1.00 5.92 H new ATOM 0 HA PHE A 107 25.844 10.894 6.898 1.00 6.71 H new ATOM 0 HB2 PHE A 107 26.669 10.202 4.066 1.00 7.09 H new ATOM 0 HB3 PHE A 107 26.828 11.765 4.844 1.00 7.09 H new ATOM 0 HD1 PHE A 107 28.285 11.873 6.980 1.00 8.28 H new ATOM 0 HD2 PHE A 107 28.392 8.607 4.249 1.00 8.18 H new ATOM 0 HE1 PHE A 107 30.480 11.213 7.854 1.00 9.14 H new ATOM 0 HE2 PHE A 107 30.590 7.947 5.119 1.00 9.05 H new ATOM 0 HZ PHE A 107 31.637 9.248 6.926 1.00 9.52 H new TER 1594 PHE A 107