USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=21 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 82 ASN : amide:sc= 1.58 K(o=4.7,f=3.3) USER MOD Set 1.2: A 84 THR OG1 : rot 59:sc= 1.21 USER MOD Set 1.3: A 97 SER OG : rot 79:sc= 1.87 USER MOD Set 2.1: A 76 THR OG1 : rot -170:sc= -0.804 USER MOD Set 2.2: A 79 ASN : amide:sc= -2.12 K(o=-2.9,f=-8.1!) USER MOD Set 3.1: A 77 HIS : no HD1:sc= 0 X(o=-0.0042,f=-0.0042) USER MOD Set 3.2: A 105 ASN : amide:sc=-0.00423 X(o=-0.0042,f=-0.1) USER MOD Single : A 1 ASP N :NH3+ 179:sc= 0.989 (180deg=0.939) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 20 MET CE :methyl -134:sc= -0.2 (180deg=-2.18) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0.0173 X(o=0.017,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.0486 K(o=-0.049,f=-0.74) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 49 THR OG1 : rot -170:sc= 0.269 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 64 THR OG1 : rot 109:sc= 1.23 USER MOD Single : A 67 HIS : no HD1:sc= 1.21 K(o=1.2,f=-5.6!) USER MOD Single : A 73 ASN : amide:sc= 0.679 K(o=0.68,f=-0.22) USER MOD Single : A 74 GLN :FLIP amide:sc= -0.0986 F(o=-0.88,f=-0.099) USER MOD Single : A 80 ASN : amide:sc= -0.606 K(o=-0.61,f=-5.9!) USER MOD Single : A 83 TYR OH : rot 60:sc= -0.228 USER MOD Single : A 89 ASN : amide:sc= -0.0511 K(o=-0.051,f=-8.6!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -167:sc= -0.426 (180deg=-0.659) USER MOD Single : A 103 MET CE :methyl -172:sc= -0.658 (180deg=-0.832) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -27.707 -5.016 -4.230 1.00 6.98 N ATOM 2 CA ASP A 1 -28.740 -3.972 -4.324 1.00 6.54 C ATOM 3 C ASP A 1 -28.824 -3.171 -3.022 1.00 5.59 C ATOM 4 O ASP A 1 -29.423 -2.091 -2.957 1.00 5.69 O ATOM 5 CB ASP A 1 -30.086 -4.611 -4.639 1.00 7.27 C ATOM 6 CG ASP A 1 -31.167 -3.597 -4.874 1.00 7.61 C ATOM 7 OD1 ASP A 1 -31.971 -3.350 -3.946 1.00 7.83 O ATOM 8 OD2 ASP A 1 -31.215 -3.011 -5.965 1.00 7.93 O ATOM 0 H1 ASP A 1 -27.679 -5.558 -5.117 1.00 6.98 H new ATOM 0 H2 ASP A 1 -26.780 -4.574 -4.065 1.00 6.98 H new ATOM 0 H3 ASP A 1 -27.931 -5.656 -3.441 1.00 6.98 H new ATOM 0 HA ASP A 1 -28.471 -3.285 -5.126 1.00 6.54 H new ATOM 0 HB2 ASP A 1 -29.986 -5.241 -5.523 1.00 7.27 H new ATOM 0 HB3 ASP A 1 -30.377 -5.262 -3.814 1.00 7.27 H new ATOM 15 N ASP A 2 -28.177 -3.672 -1.996 1.00 5.04 N ATOM 16 CA ASP A 2 -28.172 -3.029 -0.683 1.00 4.46 C ATOM 17 C ASP A 2 -26.849 -2.292 -0.535 1.00 3.67 C ATOM 18 O ASP A 2 -26.531 -1.730 0.510 1.00 3.69 O ATOM 19 CB ASP A 2 -28.272 -4.103 0.429 1.00 5.12 C ATOM 20 CG ASP A 2 -29.497 -5.007 0.323 1.00 5.72 C ATOM 21 OD1 ASP A 2 -30.443 -4.862 1.118 1.00 6.17 O ATOM 22 OD2 ASP A 2 -29.534 -5.896 -0.547 1.00 6.07 O ATOM 0 H ASP A 2 -27.637 -4.536 -2.038 1.00 5.04 H new ATOM 0 HA ASP A 2 -29.017 -2.345 -0.596 1.00 4.46 H new ATOM 0 HB2 ASP A 2 -27.375 -4.722 0.401 1.00 5.12 H new ATOM 0 HB3 ASP A 2 -28.286 -3.605 1.398 1.00 5.12 H new ATOM 27 N ASP A 3 -26.131 -2.257 -1.639 1.00 3.50 N ATOM 28 CA ASP A 3 -24.740 -1.824 -1.729 1.00 3.44 C ATOM 29 C ASP A 3 -24.542 -0.331 -1.520 1.00 2.86 C ATOM 30 O ASP A 3 -23.427 0.100 -1.246 1.00 3.35 O ATOM 31 CB ASP A 3 -24.141 -2.248 -3.085 1.00 4.23 C ATOM 32 CG ASP A 3 -24.210 -3.746 -3.331 1.00 4.91 C ATOM 33 OD1 ASP A 3 -23.150 -4.418 -3.387 1.00 5.43 O ATOM 34 OD2 ASP A 3 -25.324 -4.286 -3.464 1.00 5.26 O ATOM 0 H ASP A 3 -26.513 -2.541 -2.541 1.00 3.50 H new ATOM 0 HA ASP A 3 -24.217 -2.318 -0.910 1.00 3.44 H new ATOM 0 HB2 ASP A 3 -24.670 -1.731 -3.886 1.00 4.23 H new ATOM 0 HB3 ASP A 3 -23.100 -1.927 -3.131 1.00 4.23 H new ATOM 39 N ASP A 4 -25.581 0.463 -1.675 1.00 2.36 N ATOM 40 CA ASP A 4 -25.439 1.906 -1.434 1.00 2.24 C ATOM 41 C ASP A 4 -25.732 2.212 0.012 1.00 1.92 C ATOM 42 O ASP A 4 -25.138 3.118 0.616 1.00 2.04 O ATOM 43 CB ASP A 4 -26.362 2.748 -2.337 1.00 2.71 C ATOM 44 CG ASP A 4 -26.216 4.256 -2.090 1.00 3.25 C ATOM 45 OD1 ASP A 4 -25.293 4.895 -2.649 1.00 3.54 O ATOM 46 OD2 ASP A 4 -27.013 4.829 -1.321 1.00 3.87 O ATOM 0 H ASP A 4 -26.512 0.158 -1.958 1.00 2.36 H new ATOM 0 HA ASP A 4 -24.411 2.175 -1.677 1.00 2.24 H new ATOM 0 HB2 ASP A 4 -26.138 2.532 -3.382 1.00 2.71 H new ATOM 0 HB3 ASP A 4 -27.398 2.454 -2.166 1.00 2.71 H new ATOM 51 N ASP A 5 -26.630 1.432 0.580 1.00 1.78 N ATOM 52 CA ASP A 5 -27.048 1.632 1.958 1.00 1.68 C ATOM 53 C ASP A 5 -25.997 1.171 2.921 1.00 1.53 C ATOM 54 O ASP A 5 -25.716 1.855 3.906 1.00 1.50 O ATOM 55 CB ASP A 5 -28.390 0.983 2.264 1.00 1.90 C ATOM 56 CG ASP A 5 -29.516 1.614 1.497 1.00 2.14 C ATOM 57 OD1 ASP A 5 -30.068 0.965 0.578 1.00 2.55 O ATOM 58 OD2 ASP A 5 -29.863 2.782 1.783 1.00 2.43 O ATOM 0 H ASP A 5 -27.087 0.651 0.109 1.00 1.78 H new ATOM 0 HA ASP A 5 -27.180 2.706 2.086 1.00 1.68 H new ATOM 0 HB2 ASP A 5 -28.340 -0.079 2.024 1.00 1.90 H new ATOM 0 HB3 ASP A 5 -28.593 1.060 3.332 1.00 1.90 H new ATOM 63 N VAL A 6 -25.413 0.012 2.675 1.00 1.54 N ATOM 64 CA VAL A 6 -24.304 -0.402 3.471 1.00 1.49 C ATOM 65 C VAL A 6 -23.047 0.217 2.909 1.00 1.25 C ATOM 66 O VAL A 6 -22.462 -0.251 1.923 1.00 1.34 O ATOM 67 CB VAL A 6 -24.171 -1.947 3.633 1.00 1.77 C ATOM 68 CG1 VAL A 6 -25.260 -2.479 4.510 1.00 2.08 C ATOM 69 CG2 VAL A 6 -24.171 -2.683 2.306 1.00 1.94 C ATOM 0 H VAL A 6 -25.692 -0.639 1.941 1.00 1.54 H new ATOM 0 HA VAL A 6 -24.477 -0.045 4.486 1.00 1.49 H new ATOM 0 HB VAL A 6 -23.203 -2.126 4.100 1.00 1.77 H new ATOM 0 HG11 VAL A 6 -25.151 -3.559 4.611 1.00 2.08 H new ATOM 0 HG12 VAL A 6 -25.195 -2.014 5.494 1.00 2.08 H new ATOM 0 HG13 VAL A 6 -26.229 -2.253 4.065 1.00 2.08 H new ATOM 0 HG21 VAL A 6 -24.076 -3.754 2.484 1.00 1.94 H new ATOM 0 HG22 VAL A 6 -25.105 -2.484 1.780 1.00 1.94 H new ATOM 0 HG23 VAL A 6 -23.333 -2.340 1.700 1.00 1.94 H new ATOM 79 N SER A 7 -22.643 1.279 3.508 1.00 1.06 N ATOM 80 CA SER A 7 -21.537 1.978 3.017 1.00 0.91 C ATOM 81 C SER A 7 -20.375 1.786 3.939 1.00 0.81 C ATOM 82 O SER A 7 -20.251 2.433 4.989 1.00 0.91 O ATOM 83 CB SER A 7 -21.877 3.459 2.827 1.00 1.01 C ATOM 84 OG SER A 7 -20.815 4.164 2.194 1.00 1.58 O ATOM 0 H SER A 7 -23.073 1.676 4.344 1.00 1.06 H new ATOM 0 HA SER A 7 -21.262 1.585 2.038 1.00 0.91 H new ATOM 0 HB2 SER A 7 -22.783 3.551 2.228 1.00 1.01 H new ATOM 0 HB3 SER A 7 -22.088 3.912 3.796 1.00 1.01 H new ATOM 0 HG SER A 7 -21.065 5.105 2.087 1.00 1.58 H new ATOM 90 N PHE A 8 -19.546 0.873 3.556 1.00 0.75 N ATOM 91 CA PHE A 8 -18.324 0.624 4.232 1.00 0.70 C ATOM 92 C PHE A 8 -17.357 1.661 3.725 1.00 0.53 C ATOM 93 O PHE A 8 -16.962 1.619 2.558 1.00 0.54 O ATOM 94 CB PHE A 8 -17.820 -0.788 3.904 1.00 0.85 C ATOM 95 CG PHE A 8 -18.730 -1.913 4.343 1.00 0.77 C ATOM 96 CD1 PHE A 8 -19.865 -2.258 3.607 1.00 0.88 C ATOM 97 CD2 PHE A 8 -18.434 -2.645 5.473 1.00 1.01 C ATOM 98 CE1 PHE A 8 -20.668 -3.304 3.999 1.00 0.85 C ATOM 99 CE2 PHE A 8 -19.241 -3.689 5.871 1.00 1.19 C ATOM 100 CZ PHE A 8 -20.357 -4.019 5.133 1.00 0.96 C ATOM 0 H PHE A 8 -19.705 0.270 2.749 1.00 0.75 H new ATOM 0 HA PHE A 8 -18.439 0.683 5.314 1.00 0.70 H new ATOM 0 HB2 PHE A 8 -17.670 -0.862 2.827 1.00 0.85 H new ATOM 0 HB3 PHE A 8 -16.845 -0.927 4.372 1.00 0.85 H new ATOM 0 HD1 PHE A 8 -20.116 -1.697 2.719 1.00 0.88 H new ATOM 0 HD2 PHE A 8 -17.558 -2.397 6.054 1.00 1.01 H new ATOM 0 HE1 PHE A 8 -21.541 -3.564 3.418 1.00 0.85 H new ATOM 0 HE2 PHE A 8 -18.999 -4.249 6.762 1.00 1.19 H new ATOM 0 HZ PHE A 8 -20.987 -4.839 5.445 1.00 0.96 H new ATOM 110 N CYS A 9 -17.004 2.590 4.563 1.00 0.49 N ATOM 111 CA CYS A 9 -16.184 3.706 4.143 1.00 0.44 C ATOM 112 C CYS A 9 -14.726 3.271 4.193 1.00 0.37 C ATOM 113 O CYS A 9 -14.438 2.176 4.650 1.00 0.40 O ATOM 114 CB CYS A 9 -16.446 4.910 5.057 1.00 0.62 C ATOM 115 SG CYS A 9 -15.923 6.511 4.344 1.00 1.32 S ATOM 0 H CYS A 9 -17.269 2.604 5.548 1.00 0.49 H new ATOM 0 HA CYS A 9 -16.428 4.008 3.124 1.00 0.44 H new ATOM 0 HB2 CYS A 9 -17.511 4.956 5.285 1.00 0.62 H new ATOM 0 HB3 CYS A 9 -15.924 4.757 6.002 1.00 0.62 H new ATOM 120 N ALA A 10 -13.810 4.118 3.761 1.00 0.35 N ATOM 121 CA ALA A 10 -12.429 3.699 3.630 1.00 0.35 C ATOM 122 C ALA A 10 -11.602 4.032 4.837 1.00 0.29 C ATOM 123 O ALA A 10 -11.579 5.174 5.302 1.00 0.34 O ATOM 124 CB ALA A 10 -11.777 4.304 2.391 1.00 0.45 C ATOM 0 H ALA A 10 -13.994 5.086 3.499 1.00 0.35 H new ATOM 0 HA ALA A 10 -12.460 2.614 3.531 1.00 0.35 H new ATOM 0 HB1 ALA A 10 -10.742 3.969 2.324 1.00 0.45 H new ATOM 0 HB2 ALA A 10 -12.320 3.985 1.501 1.00 0.45 H new ATOM 0 HB3 ALA A 10 -11.802 5.391 2.461 1.00 0.45 H new ATOM 130 N SER A 11 -10.963 3.022 5.346 1.00 0.27 N ATOM 131 CA SER A 11 -9.984 3.137 6.386 1.00 0.27 C ATOM 132 C SER A 11 -8.712 2.510 5.882 1.00 0.23 C ATOM 133 O SER A 11 -8.753 1.465 5.218 1.00 0.25 O ATOM 134 CB SER A 11 -10.445 2.451 7.664 1.00 0.37 C ATOM 135 OG SER A 11 -11.605 3.084 8.201 1.00 1.19 O ATOM 0 H SER A 11 -11.114 2.061 5.038 1.00 0.27 H new ATOM 0 HA SER A 11 -9.828 4.188 6.631 1.00 0.27 H new ATOM 0 HB2 SER A 11 -10.662 1.403 7.459 1.00 0.37 H new ATOM 0 HB3 SER A 11 -9.642 2.472 8.401 1.00 0.37 H new ATOM 0 HG SER A 11 -11.880 2.622 9.020 1.00 1.19 H new ATOM 141 N VAL A 12 -7.608 3.127 6.167 1.00 0.23 N ATOM 142 CA VAL A 12 -6.343 2.662 5.685 1.00 0.22 C ATOM 143 C VAL A 12 -5.484 2.234 6.850 1.00 0.24 C ATOM 144 O VAL A 12 -5.112 3.047 7.704 1.00 0.29 O ATOM 145 CB VAL A 12 -5.618 3.779 4.870 1.00 0.23 C ATOM 146 CG1 VAL A 12 -4.244 3.354 4.468 1.00 0.24 C ATOM 147 CG2 VAL A 12 -6.385 4.100 3.623 1.00 0.27 C ATOM 0 H VAL A 12 -7.557 3.969 6.741 1.00 0.23 H new ATOM 0 HA VAL A 12 -6.511 1.811 5.025 1.00 0.22 H new ATOM 0 HB VAL A 12 -5.556 4.655 5.516 1.00 0.23 H new ATOM 0 HG11 VAL A 12 -3.767 4.154 3.902 1.00 0.24 H new ATOM 0 HG12 VAL A 12 -3.655 3.138 5.359 1.00 0.24 H new ATOM 0 HG13 VAL A 12 -4.307 2.459 3.849 1.00 0.24 H new ATOM 0 HG21 VAL A 12 -5.865 4.880 3.067 1.00 0.27 H new ATOM 0 HG22 VAL A 12 -6.465 3.206 3.005 1.00 0.27 H new ATOM 0 HG23 VAL A 12 -7.383 4.447 3.889 1.00 0.27 H new ATOM 157 N GLN A 13 -5.195 0.964 6.910 1.00 0.24 N ATOM 158 CA GLN A 13 -4.344 0.455 7.929 1.00 0.29 C ATOM 159 C GLN A 13 -3.043 -0.006 7.353 1.00 0.26 C ATOM 160 O GLN A 13 -3.001 -0.918 6.520 1.00 0.32 O ATOM 161 CB GLN A 13 -5.000 -0.658 8.735 1.00 0.40 C ATOM 162 CG GLN A 13 -6.220 -0.202 9.508 1.00 0.68 C ATOM 163 CD GLN A 13 -6.728 -1.232 10.496 1.00 1.43 C ATOM 164 OE1 GLN A 13 -6.524 -2.495 10.214 1.00 2.18 O flip ATOM 165 NE2 GLN A 13 -7.301 -0.874 11.535 1.00 2.06 N flip ATOM 0 H GLN A 13 -5.544 0.264 6.256 1.00 0.24 H new ATOM 0 HA GLN A 13 -4.152 1.276 8.619 1.00 0.29 H new ATOM 0 HB2 GLN A 13 -5.287 -1.464 8.060 1.00 0.40 H new ATOM 0 HB3 GLN A 13 -4.270 -1.070 9.432 1.00 0.40 H new ATOM 0 HG2 GLN A 13 -5.979 0.716 10.044 1.00 0.68 H new ATOM 0 HG3 GLN A 13 -7.017 0.039 8.805 1.00 0.68 H new ATOM 0 HE21 GLN A 13 -7.443 0.118 11.723 1.00 2.06 H new ATOM 0 HE22 GLN A 13 -7.630 -1.572 12.202 1.00 2.06 H new ATOM 174 N LEU A 14 -1.999 0.638 7.762 1.00 0.28 N ATOM 175 CA LEU A 14 -0.673 0.274 7.373 1.00 0.25 C ATOM 176 C LEU A 14 -0.013 -0.456 8.501 1.00 0.25 C ATOM 177 O LEU A 14 -0.431 -0.333 9.660 1.00 0.33 O ATOM 178 CB LEU A 14 0.140 1.493 6.910 1.00 0.24 C ATOM 179 CG LEU A 14 -0.187 1.985 5.496 1.00 0.24 C ATOM 180 CD1 LEU A 14 0.486 3.301 5.201 1.00 0.23 C ATOM 181 CD2 LEU A 14 0.285 0.973 4.491 1.00 0.25 C ATOM 0 H LEU A 14 -2.043 1.444 8.385 1.00 0.28 H new ATOM 0 HA LEU A 14 -0.723 -0.392 6.512 1.00 0.25 H new ATOM 0 HB2 LEU A 14 -0.026 2.311 7.611 1.00 0.24 H new ATOM 0 HB3 LEU A 14 1.200 1.244 6.957 1.00 0.24 H new ATOM 0 HG LEU A 14 -1.267 2.120 5.432 1.00 0.24 H new ATOM 0 HD11 LEU A 14 0.233 3.621 4.190 1.00 0.23 H new ATOM 0 HD12 LEU A 14 0.146 4.051 5.915 1.00 0.23 H new ATOM 0 HD13 LEU A 14 1.566 3.184 5.284 1.00 0.23 H new ATOM 0 HD21 LEU A 14 0.052 1.323 3.485 1.00 0.25 H new ATOM 0 HD22 LEU A 14 1.362 0.839 4.588 1.00 0.25 H new ATOM 0 HD23 LEU A 14 -0.217 0.022 4.669 1.00 0.25 H new ATOM 193 N HIS A 15 0.960 -1.244 8.173 1.00 0.21 N ATOM 194 CA HIS A 15 1.654 -2.053 9.133 1.00 0.24 C ATOM 195 C HIS A 15 3.112 -1.895 8.944 1.00 0.21 C ATOM 196 O HIS A 15 3.572 -1.571 7.845 1.00 0.22 O ATOM 197 CB HIS A 15 1.288 -3.541 8.993 1.00 0.34 C ATOM 198 CG HIS A 15 -0.087 -3.899 9.453 1.00 0.54 C ATOM 199 ND1 HIS A 15 -0.335 -4.512 10.654 1.00 0.92 N ATOM 200 CD2 HIS A 15 -1.288 -3.749 8.858 1.00 0.62 C ATOM 201 CE1 HIS A 15 -1.624 -4.725 10.779 1.00 1.03 C ATOM 202 NE2 HIS A 15 -2.227 -4.270 9.702 1.00 0.83 N ATOM 0 H HIS A 15 1.303 -1.348 7.218 1.00 0.21 H new ATOM 0 HA HIS A 15 1.358 -1.721 10.128 1.00 0.24 H new ATOM 0 HB2 HIS A 15 1.391 -3.828 7.947 1.00 0.34 H new ATOM 0 HB3 HIS A 15 2.009 -4.132 9.558 1.00 0.34 H new ATOM 0 HD2 HIS A 15 -1.473 -3.300 7.893 1.00 0.62 H new ATOM 0 HE1 HIS A 15 -2.108 -5.194 11.623 1.00 1.03 H new ATOM 0 HE2 HIS A 15 -3.231 -4.301 9.526 1.00 0.83 H new ATOM 211 N THR A 16 3.824 -2.098 10.024 1.00 0.26 N ATOM 212 CA THR A 16 5.246 -2.027 10.070 1.00 0.29 C ATOM 213 C THR A 16 5.820 -3.043 9.084 1.00 0.25 C ATOM 214 O THR A 16 5.313 -4.179 8.986 1.00 0.27 O ATOM 215 CB THR A 16 5.685 -2.412 11.483 1.00 0.38 C ATOM 216 OG1 THR A 16 4.754 -1.838 12.438 1.00 0.49 O ATOM 217 CG2 THR A 16 7.069 -1.874 11.766 1.00 0.47 C ATOM 0 H THR A 16 3.404 -2.325 10.925 1.00 0.26 H new ATOM 0 HA THR A 16 5.593 -1.026 9.815 1.00 0.29 H new ATOM 0 HB THR A 16 5.699 -3.499 11.569 1.00 0.38 H new ATOM 0 HG1 THR A 16 5.027 -2.081 13.347 1.00 0.49 H new ATOM 0 HG21 THR A 16 7.369 -2.155 12.775 1.00 0.47 H new ATOM 0 HG22 THR A 16 7.775 -2.291 11.048 1.00 0.47 H new ATOM 0 HG23 THR A 16 7.062 -0.787 11.679 1.00 0.47 H new ATOM 225 N ALA A 17 6.840 -2.628 8.350 1.00 0.28 N ATOM 226 CA ALA A 17 7.486 -3.481 7.378 1.00 0.30 C ATOM 227 C ALA A 17 8.075 -4.682 8.084 1.00 0.35 C ATOM 228 O ALA A 17 8.588 -4.558 9.200 1.00 0.40 O ATOM 229 CB ALA A 17 8.575 -2.711 6.647 1.00 0.37 C ATOM 0 H ALA A 17 7.239 -1.692 8.414 1.00 0.28 H new ATOM 0 HA ALA A 17 6.753 -3.818 6.645 1.00 0.30 H new ATOM 0 HB1 ALA A 17 9.055 -3.363 5.917 1.00 0.37 H new ATOM 0 HB2 ALA A 17 8.134 -1.856 6.135 1.00 0.37 H new ATOM 0 HB3 ALA A 17 9.317 -2.361 7.364 1.00 0.37 H new ATOM 235 N VAL A 18 8.021 -5.819 7.460 1.00 0.38 N ATOM 236 CA VAL A 18 8.500 -7.022 8.096 1.00 0.48 C ATOM 237 C VAL A 18 9.963 -7.232 7.778 1.00 0.56 C ATOM 238 O VAL A 18 10.390 -7.169 6.613 1.00 0.52 O ATOM 239 CB VAL A 18 7.650 -8.277 7.734 1.00 0.54 C ATOM 240 CG1 VAL A 18 6.243 -8.132 8.284 1.00 0.57 C ATOM 241 CG2 VAL A 18 7.591 -8.496 6.233 1.00 0.52 C ATOM 0 H VAL A 18 7.654 -5.946 6.517 1.00 0.38 H new ATOM 0 HA VAL A 18 8.390 -6.888 9.172 1.00 0.48 H new ATOM 0 HB VAL A 18 8.132 -9.144 8.186 1.00 0.54 H new ATOM 0 HG11 VAL A 18 5.658 -9.015 8.025 1.00 0.57 H new ATOM 0 HG12 VAL A 18 6.285 -8.030 9.368 1.00 0.57 H new ATOM 0 HG13 VAL A 18 5.774 -7.247 7.854 1.00 0.57 H new ATOM 0 HG21 VAL A 18 6.990 -9.380 6.018 1.00 0.52 H new ATOM 0 HG22 VAL A 18 7.141 -7.626 5.756 1.00 0.52 H new ATOM 0 HG23 VAL A 18 8.600 -8.640 5.846 1.00 0.52 H new ATOM 251 N GLU A 19 10.721 -7.463 8.818 1.00 0.72 N ATOM 252 CA GLU A 19 12.154 -7.517 8.747 1.00 0.84 C ATOM 253 C GLU A 19 12.657 -8.832 8.198 1.00 0.84 C ATOM 254 O GLU A 19 12.831 -9.805 8.919 1.00 0.96 O ATOM 255 CB GLU A 19 12.764 -7.196 10.111 1.00 1.06 C ATOM 256 CG GLU A 19 12.396 -5.805 10.601 1.00 1.72 C ATOM 257 CD GLU A 19 12.942 -5.484 11.961 1.00 2.02 C ATOM 258 OE1 GLU A 19 12.278 -5.811 12.975 1.00 2.52 O ATOM 259 OE2 GLU A 19 14.053 -4.913 12.053 1.00 2.38 O ATOM 0 H GLU A 19 10.350 -7.622 9.755 1.00 0.72 H new ATOM 0 HA GLU A 19 12.480 -6.755 8.039 1.00 0.84 H new ATOM 0 HB2 GLU A 19 12.428 -7.935 10.839 1.00 1.06 H new ATOM 0 HB3 GLU A 19 13.849 -7.281 10.049 1.00 1.06 H new ATOM 0 HG2 GLU A 19 12.765 -5.068 9.887 1.00 1.72 H new ATOM 0 HG3 GLU A 19 11.310 -5.712 10.623 1.00 1.72 H new ATOM 266 N MET A 20 12.831 -8.844 6.918 1.00 0.79 N ATOM 267 CA MET A 20 13.399 -9.934 6.185 1.00 0.84 C ATOM 268 C MET A 20 13.988 -9.336 4.940 1.00 0.81 C ATOM 269 O MET A 20 13.934 -8.116 4.817 1.00 0.84 O ATOM 270 CB MET A 20 12.367 -11.045 5.880 1.00 0.88 C ATOM 271 CG MET A 20 11.121 -10.610 5.121 1.00 0.88 C ATOM 272 SD MET A 20 9.998 -11.997 4.821 1.00 0.88 S ATOM 273 CE MET A 20 8.636 -11.194 3.977 1.00 0.58 C ATOM 0 H MET A 20 12.569 -8.058 6.323 1.00 0.79 H new ATOM 0 HA MET A 20 14.166 -10.438 6.772 1.00 0.84 H new ATOM 0 HB2 MET A 20 12.864 -11.827 5.305 1.00 0.88 H new ATOM 0 HB3 MET A 20 12.055 -11.493 6.824 1.00 0.88 H new ATOM 0 HG2 MET A 20 10.601 -9.838 5.688 1.00 0.88 H new ATOM 0 HG3 MET A 20 11.412 -10.165 4.169 1.00 0.88 H new ATOM 0 HE1 MET A 20 7.692 -11.532 4.406 1.00 0.58 H new ATOM 0 HE2 MET A 20 8.722 -10.114 4.094 1.00 0.58 H new ATOM 0 HE3 MET A 20 8.664 -11.447 2.917 1.00 0.58 H new ATOM 283 N HIS A 21 14.559 -10.099 4.040 1.00 0.92 N ATOM 284 CA HIS A 21 15.151 -9.469 2.854 1.00 1.01 C ATOM 285 C HIS A 21 14.056 -8.956 1.917 1.00 0.82 C ATOM 286 O HIS A 21 14.248 -7.993 1.174 1.00 0.95 O ATOM 287 CB HIS A 21 16.125 -10.398 2.122 1.00 1.24 C ATOM 288 CG HIS A 21 16.911 -9.703 1.038 1.00 1.65 C ATOM 289 ND1 HIS A 21 16.890 -10.089 -0.281 1.00 2.31 N ATOM 290 CD2 HIS A 21 17.767 -8.651 1.101 1.00 2.19 C ATOM 291 CE1 HIS A 21 17.690 -9.316 -0.980 1.00 2.75 C ATOM 292 NE2 HIS A 21 18.233 -8.435 -0.168 1.00 2.66 N ATOM 0 H HIS A 21 14.633 -11.115 4.087 1.00 0.92 H new ATOM 0 HA HIS A 21 15.739 -8.618 3.197 1.00 1.01 H new ATOM 0 HB2 HIS A 21 16.818 -10.829 2.845 1.00 1.24 H new ATOM 0 HB3 HIS A 21 15.567 -11.225 1.683 1.00 1.24 H new ATOM 0 HD2 HIS A 21 18.031 -8.090 1.986 1.00 2.19 H new ATOM 0 HE1 HIS A 21 17.871 -9.391 -2.042 1.00 2.75 H new ATOM 0 HE2 HIS A 21 18.895 -7.708 -0.440 1.00 2.66 H new ATOM 301 N HIS A 22 12.918 -9.607 1.955 1.00 0.67 N ATOM 302 CA HIS A 22 11.775 -9.142 1.201 1.00 0.59 C ATOM 303 C HIS A 22 11.016 -8.166 2.077 1.00 0.49 C ATOM 304 O HIS A 22 10.279 -8.579 2.968 1.00 0.57 O ATOM 305 CB HIS A 22 10.831 -10.292 0.794 1.00 0.76 C ATOM 306 CG HIS A 22 11.443 -11.372 -0.043 1.00 1.13 C ATOM 307 ND1 HIS A 22 11.886 -11.183 -1.325 1.00 1.52 N ATOM 308 CD2 HIS A 22 11.676 -12.668 0.237 1.00 2.11 C ATOM 309 CE1 HIS A 22 12.361 -12.314 -1.792 1.00 2.06 C ATOM 310 NE2 HIS A 22 12.245 -13.225 -0.864 1.00 2.46 N ATOM 0 H HIS A 22 12.757 -10.456 2.497 1.00 0.67 H new ATOM 0 HA HIS A 22 12.130 -8.677 0.281 1.00 0.59 H new ATOM 0 HB2 HIS A 22 10.429 -10.745 1.700 1.00 0.76 H new ATOM 0 HB3 HIS A 22 9.988 -9.869 0.248 1.00 0.76 H new ATOM 0 HD2 HIS A 22 11.452 -13.172 1.166 1.00 2.11 H new ATOM 0 HE1 HIS A 22 12.777 -12.465 -2.777 1.00 2.06 H new ATOM 0 HE2 HIS A 22 12.535 -14.199 -0.951 1.00 2.46 H new ATOM 319 N TRP A 23 11.191 -6.896 1.847 1.00 0.41 N ATOM 320 CA TRP A 23 10.538 -5.910 2.671 1.00 0.36 C ATOM 321 C TRP A 23 9.122 -5.705 2.212 1.00 0.32 C ATOM 322 O TRP A 23 8.852 -5.036 1.206 1.00 0.44 O ATOM 323 CB TRP A 23 11.309 -4.596 2.701 1.00 0.43 C ATOM 324 CG TRP A 23 12.658 -4.722 3.327 1.00 0.47 C ATOM 325 CD1 TRP A 23 13.830 -4.964 2.689 1.00 0.52 C ATOM 326 CD2 TRP A 23 12.971 -4.614 4.721 1.00 0.56 C ATOM 327 NE1 TRP A 23 14.854 -5.039 3.601 1.00 0.57 N ATOM 328 CE2 TRP A 23 14.352 -4.819 4.854 1.00 0.60 C ATOM 329 CE3 TRP A 23 12.215 -4.368 5.868 1.00 0.70 C ATOM 330 CZ2 TRP A 23 14.997 -4.784 6.089 1.00 0.73 C ATOM 331 CZ3 TRP A 23 12.851 -4.331 7.090 1.00 0.85 C ATOM 332 CH2 TRP A 23 14.231 -4.538 7.194 1.00 0.86 C ATOM 0 H TRP A 23 11.776 -6.517 1.102 1.00 0.41 H new ATOM 0 HA TRP A 23 10.518 -6.285 3.694 1.00 0.36 H new ATOM 0 HB2 TRP A 23 11.421 -4.224 1.682 1.00 0.43 H new ATOM 0 HB3 TRP A 23 10.729 -3.854 3.249 1.00 0.43 H new ATOM 0 HD1 TRP A 23 13.942 -5.081 1.621 1.00 0.52 H new ATOM 0 HE1 TRP A 23 15.832 -5.228 3.380 1.00 0.57 H new ATOM 0 HE3 TRP A 23 11.149 -4.209 5.799 1.00 0.70 H new ATOM 0 HZ2 TRP A 23 16.062 -4.945 6.170 1.00 0.73 H new ATOM 0 HZ3 TRP A 23 12.274 -4.139 7.983 1.00 0.85 H new ATOM 0 HH2 TRP A 23 14.700 -4.503 8.166 1.00 0.86 H new ATOM 343 N CYS A 24 8.247 -6.344 2.921 1.00 0.27 N ATOM 344 CA CYS A 24 6.847 -6.307 2.664 1.00 0.25 C ATOM 345 C CYS A 24 6.181 -5.384 3.669 1.00 0.23 C ATOM 346 O CYS A 24 6.368 -5.542 4.890 1.00 0.25 O ATOM 347 CB CYS A 24 6.277 -7.739 2.777 1.00 0.28 C ATOM 348 SG CYS A 24 4.476 -7.897 2.508 1.00 0.30 S ATOM 0 H CYS A 24 8.498 -6.925 3.721 1.00 0.27 H new ATOM 0 HA CYS A 24 6.654 -5.929 1.660 1.00 0.25 H new ATOM 0 HB2 CYS A 24 6.791 -8.373 2.055 1.00 0.28 H new ATOM 0 HB3 CYS A 24 6.514 -8.128 3.768 1.00 0.28 H new ATOM 353 N ILE A 25 5.491 -4.390 3.166 1.00 0.20 N ATOM 354 CA ILE A 25 4.714 -3.488 3.986 1.00 0.19 C ATOM 355 C ILE A 25 3.237 -3.844 3.787 1.00 0.18 C ATOM 356 O ILE A 25 2.643 -3.491 2.758 1.00 0.18 O ATOM 357 CB ILE A 25 4.941 -2.003 3.575 1.00 0.21 C ATOM 358 CG1 ILE A 25 6.437 -1.649 3.633 1.00 0.25 C ATOM 359 CG2 ILE A 25 4.133 -1.069 4.485 1.00 0.22 C ATOM 360 CD1 ILE A 25 6.764 -0.237 3.180 1.00 0.30 C ATOM 0 H ILE A 25 5.451 -4.181 2.168 1.00 0.20 H new ATOM 0 HA ILE A 25 5.018 -3.593 5.027 1.00 0.19 H new ATOM 0 HB ILE A 25 4.597 -1.872 2.549 1.00 0.21 H new ATOM 0 HG12 ILE A 25 6.790 -1.781 4.656 1.00 0.25 H new ATOM 0 HG13 ILE A 25 6.989 -2.354 3.012 1.00 0.25 H new ATOM 0 HG21 ILE A 25 4.301 -0.034 4.186 1.00 0.22 H new ATOM 0 HG22 ILE A 25 3.072 -1.304 4.398 1.00 0.22 H new ATOM 0 HG23 ILE A 25 4.450 -1.204 5.519 1.00 0.22 H new ATOM 0 HD11 ILE A 25 7.839 -0.071 3.253 1.00 0.30 H new ATOM 0 HD12 ILE A 25 6.445 -0.104 2.146 1.00 0.30 H new ATOM 0 HD13 ILE A 25 6.243 0.479 3.816 1.00 0.30 H new ATOM 372 N PRO A 26 2.642 -4.592 4.720 1.00 0.20 N ATOM 373 CA PRO A 26 1.252 -5.024 4.606 1.00 0.21 C ATOM 374 C PRO A 26 0.261 -3.884 4.847 1.00 0.21 C ATOM 375 O PRO A 26 0.389 -3.118 5.822 1.00 0.23 O ATOM 376 CB PRO A 26 1.103 -6.095 5.706 1.00 0.25 C ATOM 377 CG PRO A 26 2.482 -6.326 6.241 1.00 0.28 C ATOM 378 CD PRO A 26 3.258 -5.077 5.958 1.00 0.24 C ATOM 0 HA PRO A 26 1.033 -5.391 3.603 1.00 0.21 H new ATOM 0 HB2 PRO A 26 0.430 -5.756 6.493 1.00 0.25 H new ATOM 0 HB3 PRO A 26 0.682 -7.015 5.301 1.00 0.25 H new ATOM 0 HG2 PRO A 26 2.454 -6.532 7.311 1.00 0.28 H new ATOM 0 HG3 PRO A 26 2.945 -7.188 5.762 1.00 0.28 H new ATOM 0 HD2 PRO A 26 3.168 -4.352 6.767 1.00 0.24 H new ATOM 0 HD3 PRO A 26 4.321 -5.281 5.829 1.00 0.24 H new ATOM 386 N PHE A 27 -0.712 -3.765 3.977 1.00 0.23 N ATOM 387 CA PHE A 27 -1.733 -2.773 4.142 1.00 0.25 C ATOM 388 C PHE A 27 -3.087 -3.413 4.042 1.00 0.25 C ATOM 389 O PHE A 27 -3.262 -4.451 3.381 1.00 0.30 O ATOM 390 CB PHE A 27 -1.607 -1.584 3.143 1.00 0.27 C ATOM 391 CG PHE A 27 -1.875 -1.871 1.680 1.00 0.28 C ATOM 392 CD1 PHE A 27 -3.161 -1.738 1.141 1.00 0.29 C ATOM 393 CD2 PHE A 27 -0.845 -2.240 0.838 1.00 0.32 C ATOM 394 CE1 PHE A 27 -3.393 -1.977 -0.195 1.00 0.34 C ATOM 395 CE2 PHE A 27 -1.080 -2.479 -0.501 1.00 0.36 C ATOM 396 CZ PHE A 27 -2.354 -2.347 -1.017 1.00 0.37 C ATOM 0 H PHE A 27 -0.814 -4.348 3.146 1.00 0.23 H new ATOM 0 HA PHE A 27 -1.602 -2.344 5.135 1.00 0.25 H new ATOM 0 HB2 PHE A 27 -2.294 -0.800 3.464 1.00 0.27 H new ATOM 0 HB3 PHE A 27 -0.599 -1.179 3.227 1.00 0.27 H new ATOM 0 HD1 PHE A 27 -3.980 -1.445 1.781 1.00 0.29 H new ATOM 0 HD2 PHE A 27 0.156 -2.343 1.231 1.00 0.32 H new ATOM 0 HE1 PHE A 27 -4.390 -1.874 -0.597 1.00 0.34 H new ATOM 0 HE2 PHE A 27 -0.265 -2.770 -1.147 1.00 0.36 H new ATOM 0 HZ PHE A 27 -2.535 -2.534 -2.065 1.00 0.37 H new ATOM 406 N SER A 28 -4.015 -2.850 4.725 1.00 0.25 N ATOM 407 CA SER A 28 -5.360 -3.286 4.676 1.00 0.28 C ATOM 408 C SER A 28 -6.245 -2.073 4.593 1.00 0.24 C ATOM 409 O SER A 28 -6.274 -1.245 5.513 1.00 0.27 O ATOM 410 CB SER A 28 -5.695 -4.088 5.919 1.00 0.41 C ATOM 411 OG SER A 28 -4.753 -5.139 6.115 1.00 0.88 O ATOM 0 H SER A 28 -3.857 -2.057 5.346 1.00 0.25 H new ATOM 0 HA SER A 28 -5.514 -3.924 3.806 1.00 0.28 H new ATOM 0 HB2 SER A 28 -5.700 -3.432 6.789 1.00 0.41 H new ATOM 0 HB3 SER A 28 -6.698 -4.505 5.828 1.00 0.41 H new ATOM 0 HG SER A 28 -4.987 -5.642 6.923 1.00 0.88 H new ATOM 417 N VAL A 29 -6.888 -1.915 3.488 1.00 0.23 N ATOM 418 CA VAL A 29 -7.812 -0.849 3.326 1.00 0.21 C ATOM 419 C VAL A 29 -9.214 -1.423 3.256 1.00 0.21 C ATOM 420 O VAL A 29 -9.516 -2.267 2.402 1.00 0.27 O ATOM 421 CB VAL A 29 -7.461 0.087 2.104 1.00 0.22 C ATOM 422 CG1 VAL A 29 -7.210 -0.707 0.850 1.00 0.25 C ATOM 423 CG2 VAL A 29 -8.574 1.097 1.858 1.00 0.26 C ATOM 0 H VAL A 29 -6.788 -2.520 2.673 1.00 0.23 H new ATOM 0 HA VAL A 29 -7.749 -0.191 4.193 1.00 0.21 H new ATOM 0 HB VAL A 29 -6.545 0.619 2.361 1.00 0.22 H new ATOM 0 HG11 VAL A 29 -6.972 -0.028 0.031 1.00 0.25 H new ATOM 0 HG12 VAL A 29 -6.374 -1.388 1.012 1.00 0.25 H new ATOM 0 HG13 VAL A 29 -8.102 -1.281 0.598 1.00 0.25 H new ATOM 0 HG21 VAL A 29 -8.310 1.731 1.011 1.00 0.26 H new ATOM 0 HG22 VAL A 29 -9.503 0.569 1.640 1.00 0.26 H new ATOM 0 HG23 VAL A 29 -8.707 1.715 2.746 1.00 0.26 H new ATOM 433 N ASP A 30 -10.029 -1.023 4.190 1.00 0.27 N ATOM 434 CA ASP A 30 -11.396 -1.502 4.272 1.00 0.35 C ATOM 435 C ASP A 30 -12.291 -0.456 3.706 1.00 0.37 C ATOM 436 O ASP A 30 -12.112 0.727 3.992 1.00 0.48 O ATOM 437 CB ASP A 30 -11.797 -1.817 5.731 1.00 0.51 C ATOM 438 CG ASP A 30 -13.267 -2.237 5.894 1.00 0.80 C ATOM 439 OD1 ASP A 30 -14.094 -1.406 6.316 1.00 1.39 O ATOM 440 OD2 ASP A 30 -13.624 -3.391 5.537 1.00 1.30 O ATOM 0 H ASP A 30 -9.774 -0.357 4.919 1.00 0.27 H new ATOM 0 HA ASP A 30 -11.487 -2.429 3.705 1.00 0.35 H new ATOM 0 HB2 ASP A 30 -11.157 -2.614 6.110 1.00 0.51 H new ATOM 0 HB3 ASP A 30 -11.610 -0.938 6.347 1.00 0.51 H new ATOM 445 N GLY A 31 -13.166 -0.876 2.855 1.00 0.37 N ATOM 446 CA GLY A 31 -14.101 -0.010 2.228 1.00 0.42 C ATOM 447 C GLY A 31 -14.728 -0.713 1.069 1.00 0.46 C ATOM 448 O GLY A 31 -14.024 -1.323 0.264 1.00 0.60 O ATOM 0 H GLY A 31 -13.251 -1.852 2.571 1.00 0.37 H new ATOM 0 HA2 GLY A 31 -14.867 0.294 2.941 1.00 0.42 H new ATOM 0 HA3 GLY A 31 -13.602 0.898 1.890 1.00 0.42 H new ATOM 452 N GLN A 32 -16.036 -0.662 0.982 1.00 0.55 N ATOM 453 CA GLN A 32 -16.733 -1.337 -0.094 1.00 0.64 C ATOM 454 C GLN A 32 -16.570 -0.537 -1.397 1.00 0.61 C ATOM 455 O GLN A 32 -16.156 -1.105 -2.410 1.00 0.68 O ATOM 456 CB GLN A 32 -18.198 -1.614 0.250 1.00 0.76 C ATOM 457 CG GLN A 32 -18.929 -2.457 -0.773 1.00 0.99 C ATOM 458 CD GLN A 32 -20.376 -2.609 -0.418 1.00 1.82 C ATOM 459 OE1 GLN A 32 -20.773 -3.544 0.283 1.00 2.42 O ATOM 460 NE2 GLN A 32 -21.169 -1.700 -0.888 1.00 2.61 N ATOM 0 H GLN A 32 -16.639 -0.164 1.637 1.00 0.55 H new ATOM 0 HA GLN A 32 -16.282 -2.318 -0.240 1.00 0.64 H new ATOM 0 HB2 GLN A 32 -18.244 -2.116 1.217 1.00 0.76 H new ATOM 0 HB3 GLN A 32 -18.719 -0.663 0.360 1.00 0.76 H new ATOM 0 HG2 GLN A 32 -18.840 -1.997 -1.757 1.00 0.99 H new ATOM 0 HG3 GLN A 32 -18.463 -3.440 -0.837 1.00 0.99 H new ATOM 0 HE21 GLN A 32 -20.795 -0.945 -1.463 1.00 2.61 H new ATOM 0 HE22 GLN A 32 -22.167 -1.739 -0.683 1.00 2.61 H new ATOM 469 N PRO A 33 -16.929 0.794 -1.435 1.00 0.59 N ATOM 470 CA PRO A 33 -16.547 1.629 -2.557 1.00 0.62 C ATOM 471 C PRO A 33 -15.027 1.692 -2.580 1.00 0.53 C ATOM 472 O PRO A 33 -14.403 2.112 -1.597 1.00 0.44 O ATOM 473 CB PRO A 33 -17.145 3.012 -2.227 1.00 0.67 C ATOM 474 CG PRO A 33 -17.442 2.977 -0.769 1.00 0.78 C ATOM 475 CD PRO A 33 -17.745 1.550 -0.450 1.00 0.63 C ATOM 0 HA PRO A 33 -16.893 1.268 -3.526 1.00 0.62 H new ATOM 0 HB2 PRO A 33 -16.443 3.811 -2.466 1.00 0.67 H new ATOM 0 HB3 PRO A 33 -18.049 3.198 -2.808 1.00 0.67 H new ATOM 0 HG2 PRO A 33 -16.592 3.336 -0.188 1.00 0.78 H new ATOM 0 HG3 PRO A 33 -18.288 3.620 -0.527 1.00 0.78 H new ATOM 0 HD2 PRO A 33 -17.470 1.301 0.575 1.00 0.63 H new ATOM 0 HD3 PRO A 33 -18.808 1.332 -0.557 1.00 0.63 H new ATOM 483 N ALA A 34 -14.447 1.251 -3.667 1.00 0.62 N ATOM 484 CA ALA A 34 -13.017 1.112 -3.774 1.00 0.60 C ATOM 485 C ALA A 34 -12.322 2.465 -3.865 1.00 0.52 C ATOM 486 O ALA A 34 -12.495 3.189 -4.846 1.00 0.63 O ATOM 487 CB ALA A 34 -12.679 0.242 -4.964 1.00 0.78 C ATOM 0 H ALA A 34 -14.956 0.977 -4.507 1.00 0.62 H new ATOM 0 HA ALA A 34 -12.650 0.632 -2.867 1.00 0.60 H new ATOM 0 HB1 ALA A 34 -11.597 0.138 -5.043 1.00 0.78 H new ATOM 0 HB2 ALA A 34 -13.129 -0.742 -4.835 1.00 0.78 H new ATOM 0 HB3 ALA A 34 -13.067 0.702 -5.873 1.00 0.78 H new ATOM 493 N PRO A 35 -11.558 2.852 -2.837 1.00 0.39 N ATOM 494 CA PRO A 35 -10.848 4.127 -2.835 1.00 0.35 C ATOM 495 C PRO A 35 -9.598 4.080 -3.717 1.00 0.41 C ATOM 496 O PRO A 35 -8.975 3.023 -3.877 1.00 0.56 O ATOM 497 CB PRO A 35 -10.445 4.280 -1.373 1.00 0.29 C ATOM 498 CG PRO A 35 -10.249 2.885 -0.901 1.00 0.31 C ATOM 499 CD PRO A 35 -11.327 2.091 -1.576 1.00 0.37 C ATOM 0 HA PRO A 35 -11.454 4.946 -3.224 1.00 0.35 H new ATOM 0 HB2 PRO A 35 -9.532 4.867 -1.271 1.00 0.29 H new ATOM 0 HB3 PRO A 35 -11.218 4.790 -0.798 1.00 0.29 H new ATOM 0 HG2 PRO A 35 -9.260 2.514 -1.168 1.00 0.31 H new ATOM 0 HG3 PRO A 35 -10.332 2.820 0.184 1.00 0.31 H new ATOM 0 HD2 PRO A 35 -11.011 1.067 -1.774 1.00 0.37 H new ATOM 0 HD3 PRO A 35 -12.229 2.034 -0.967 1.00 0.37 H new ATOM 507 N SER A 36 -9.247 5.197 -4.277 1.00 0.39 N ATOM 508 CA SER A 36 -8.079 5.300 -5.102 1.00 0.44 C ATOM 509 C SER A 36 -6.843 5.323 -4.197 1.00 0.37 C ATOM 510 O SER A 36 -6.641 6.280 -3.447 1.00 0.41 O ATOM 511 CB SER A 36 -8.179 6.584 -5.916 1.00 0.57 C ATOM 512 OG SER A 36 -9.459 6.665 -6.556 1.00 1.37 O ATOM 0 H SER A 36 -9.765 6.069 -4.175 1.00 0.39 H new ATOM 0 HA SER A 36 -8.000 4.453 -5.783 1.00 0.44 H new ATOM 0 HB2 SER A 36 -8.034 7.447 -5.267 1.00 0.57 H new ATOM 0 HB3 SER A 36 -7.387 6.611 -6.665 1.00 0.57 H new ATOM 0 HG SER A 36 -9.513 7.495 -7.075 1.00 1.37 H new ATOM 518 N LEU A 37 -6.078 4.248 -4.219 1.00 0.33 N ATOM 519 CA LEU A 37 -4.890 4.121 -3.390 1.00 0.30 C ATOM 520 C LEU A 37 -3.674 4.711 -4.088 1.00 0.32 C ATOM 521 O LEU A 37 -3.361 4.352 -5.230 1.00 0.50 O ATOM 522 CB LEU A 37 -4.607 2.646 -3.068 1.00 0.32 C ATOM 523 CG LEU A 37 -5.676 1.883 -2.282 1.00 0.32 C ATOM 524 CD1 LEU A 37 -5.295 0.418 -2.197 1.00 0.43 C ATOM 525 CD2 LEU A 37 -5.813 2.460 -0.883 1.00 0.27 C ATOM 0 H LEU A 37 -6.261 3.438 -4.811 1.00 0.33 H new ATOM 0 HA LEU A 37 -5.078 4.668 -2.466 1.00 0.30 H new ATOM 0 HB2 LEU A 37 -4.441 2.121 -4.009 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -3.675 2.596 -2.506 1.00 0.32 H new ATOM 0 HG LEU A 37 -6.632 1.981 -2.797 1.00 0.32 H new ATOM 0 HD11 LEU A 37 -6.057 -0.124 -1.637 1.00 0.43 H new ATOM 0 HD12 LEU A 37 -5.219 0.003 -3.202 1.00 0.43 H new ATOM 0 HD13 LEU A 37 -4.335 0.321 -1.691 1.00 0.43 H new ATOM 0 HD21 LEU A 37 -6.577 1.908 -0.335 1.00 0.27 H new ATOM 0 HD22 LEU A 37 -4.860 2.377 -0.360 1.00 0.27 H new ATOM 0 HD23 LEU A 37 -6.101 3.509 -0.949 1.00 0.27 H new ATOM 537 N ARG A 38 -3.015 5.607 -3.428 1.00 0.23 N ATOM 538 CA ARG A 38 -1.805 6.190 -3.923 1.00 0.23 C ATOM 539 C ARG A 38 -0.771 6.255 -2.822 1.00 0.22 C ATOM 540 O ARG A 38 -1.062 6.673 -1.711 1.00 0.26 O ATOM 541 CB ARG A 38 -2.060 7.588 -4.531 1.00 0.28 C ATOM 542 CG ARG A 38 -0.797 8.364 -4.932 1.00 0.33 C ATOM 543 CD ARG A 38 0.095 7.562 -5.872 1.00 1.28 C ATOM 544 NE ARG A 38 -0.612 7.129 -7.071 1.00 1.98 N ATOM 545 CZ ARG A 38 -0.247 6.100 -7.845 1.00 3.10 C ATOM 546 NH1 ARG A 38 0.935 5.511 -7.665 1.00 3.72 N ATOM 547 NH2 ARG A 38 -1.031 5.713 -8.837 1.00 3.78 N ATOM 0 H ARG A 38 -3.304 5.961 -2.516 1.00 0.23 H new ATOM 0 HA ARG A 38 -1.422 5.556 -4.722 1.00 0.23 H new ATOM 0 HB2 ARG A 38 -2.693 7.474 -5.411 1.00 0.28 H new ATOM 0 HB3 ARG A 38 -2.620 8.184 -3.810 1.00 0.28 H new ATOM 0 HG2 ARG A 38 -1.084 9.298 -5.415 1.00 0.33 H new ATOM 0 HG3 ARG A 38 -0.235 8.628 -4.036 1.00 0.33 H new ATOM 0 HD2 ARG A 38 0.954 8.168 -6.159 1.00 1.28 H new ATOM 0 HD3 ARG A 38 0.482 6.689 -5.346 1.00 1.28 H new ATOM 0 HE ARG A 38 -1.447 7.649 -7.340 1.00 1.98 H new ATOM 0 HH11 ARG A 38 1.565 5.844 -6.935 1.00 3.72 H new ATOM 0 HH12 ARG A 38 1.210 4.727 -8.257 1.00 3.72 H new ATOM 0 HH21 ARG A 38 -1.911 6.198 -9.011 1.00 3.78 H new ATOM 0 HH22 ARG A 38 -0.756 4.929 -9.429 1.00 3.78 H new ATOM 561 N TRP A 39 0.411 5.796 -3.127 1.00 0.22 N ATOM 562 CA TRP A 39 1.512 5.879 -2.217 1.00 0.22 C ATOM 563 C TRP A 39 2.270 7.163 -2.450 1.00 0.20 C ATOM 564 O TRP A 39 2.570 7.528 -3.599 1.00 0.26 O ATOM 565 CB TRP A 39 2.474 4.718 -2.412 1.00 0.25 C ATOM 566 CG TRP A 39 1.916 3.378 -2.098 1.00 0.25 C ATOM 567 CD1 TRP A 39 1.329 2.513 -2.967 1.00 0.29 C ATOM 568 CD2 TRP A 39 1.916 2.737 -0.826 1.00 0.24 C ATOM 569 NE1 TRP A 39 0.956 1.372 -2.313 1.00 0.29 N ATOM 570 CE2 TRP A 39 1.307 1.480 -0.996 1.00 0.26 C ATOM 571 CE3 TRP A 39 2.372 3.102 0.445 1.00 0.25 C ATOM 572 CZ2 TRP A 39 1.143 0.587 0.052 1.00 0.26 C ATOM 573 CZ3 TRP A 39 2.210 2.211 1.484 1.00 0.26 C ATOM 574 CH2 TRP A 39 1.601 0.967 1.281 1.00 0.26 C ATOM 0 H TRP A 39 0.635 5.353 -4.018 1.00 0.22 H new ATOM 0 HA TRP A 39 1.109 5.847 -1.205 1.00 0.22 H new ATOM 0 HB2 TRP A 39 2.815 4.719 -3.447 1.00 0.25 H new ATOM 0 HB3 TRP A 39 3.351 4.885 -1.787 1.00 0.25 H new ATOM 0 HD1 TRP A 39 1.179 2.700 -4.020 1.00 0.29 H new ATOM 0 HE1 TRP A 39 0.491 0.570 -2.739 1.00 0.29 H new ATOM 0 HE3 TRP A 39 2.841 4.061 0.609 1.00 0.25 H new ATOM 0 HZ2 TRP A 39 0.671 -0.373 -0.098 1.00 0.26 H new ATOM 0 HZ3 TRP A 39 2.559 2.477 2.471 1.00 0.26 H new ATOM 0 HH2 TRP A 39 1.491 0.292 2.116 1.00 0.26 H new ATOM 585 N LEU A 40 2.534 7.854 -1.403 1.00 0.25 N ATOM 586 CA LEU A 40 3.365 9.006 -1.453 1.00 0.24 C ATOM 587 C LEU A 40 4.683 8.572 -0.852 1.00 0.27 C ATOM 588 O LEU A 40 4.715 8.028 0.250 1.00 0.34 O ATOM 589 CB LEU A 40 2.754 10.142 -0.629 1.00 0.31 C ATOM 590 CG LEU A 40 3.370 11.526 -0.797 1.00 0.49 C ATOM 591 CD1 LEU A 40 3.045 12.076 -2.173 1.00 0.66 C ATOM 592 CD2 LEU A 40 2.885 12.468 0.294 1.00 0.95 C ATOM 0 H LEU A 40 2.176 7.635 -0.473 1.00 0.25 H new ATOM 0 HA LEU A 40 3.483 9.378 -2.471 1.00 0.24 H new ATOM 0 HB2 LEU A 40 1.695 10.210 -0.878 1.00 0.31 H new ATOM 0 HB3 LEU A 40 2.817 9.869 0.424 1.00 0.31 H new ATOM 0 HG LEU A 40 4.453 11.441 -0.705 1.00 0.49 H new ATOM 0 HD11 LEU A 40 3.489 13.065 -2.284 1.00 0.66 H new ATOM 0 HD12 LEU A 40 3.448 11.410 -2.936 1.00 0.66 H new ATOM 0 HD13 LEU A 40 1.964 12.149 -2.290 1.00 0.66 H new ATOM 0 HD21 LEU A 40 3.337 13.450 0.154 1.00 0.95 H new ATOM 0 HD22 LEU A 40 1.800 12.558 0.242 1.00 0.95 H new ATOM 0 HD23 LEU A 40 3.170 12.073 1.269 1.00 0.95 H new ATOM 604 N PHE A 41 5.731 8.793 -1.555 1.00 0.28 N ATOM 605 CA PHE A 41 7.035 8.345 -1.162 1.00 0.35 C ATOM 606 C PHE A 41 7.942 9.518 -0.941 1.00 0.38 C ATOM 607 O PHE A 41 8.294 10.217 -1.886 1.00 0.41 O ATOM 608 CB PHE A 41 7.605 7.396 -2.234 1.00 0.45 C ATOM 609 CG PHE A 41 9.080 7.110 -2.120 1.00 0.58 C ATOM 610 CD1 PHE A 41 9.945 7.512 -3.126 1.00 0.75 C ATOM 611 CD2 PHE A 41 9.602 6.461 -1.017 1.00 0.60 C ATOM 612 CE1 PHE A 41 11.296 7.271 -3.034 1.00 0.88 C ATOM 613 CE2 PHE A 41 10.954 6.215 -0.921 1.00 0.74 C ATOM 614 CZ PHE A 41 11.801 6.622 -1.933 1.00 0.86 C ATOM 0 H PHE A 41 5.717 9.300 -2.440 1.00 0.28 H new ATOM 0 HA PHE A 41 6.960 7.798 -0.222 1.00 0.35 H new ATOM 0 HB2 PHE A 41 7.063 6.451 -2.185 1.00 0.45 H new ATOM 0 HB3 PHE A 41 7.409 7.825 -3.217 1.00 0.45 H new ATOM 0 HD1 PHE A 41 9.553 8.021 -3.994 1.00 0.75 H new ATOM 0 HD2 PHE A 41 8.943 6.143 -0.222 1.00 0.60 H new ATOM 0 HE1 PHE A 41 11.958 7.591 -3.825 1.00 0.88 H new ATOM 0 HE2 PHE A 41 11.351 5.705 -0.056 1.00 0.74 H new ATOM 0 HZ PHE A 41 12.861 6.430 -1.859 1.00 0.86 H new ATOM 624 N ASN A 42 8.268 9.748 0.318 1.00 0.46 N ATOM 625 CA ASN A 42 9.191 10.797 0.748 1.00 0.57 C ATOM 626 C ASN A 42 8.790 12.150 0.143 1.00 0.53 C ATOM 627 O ASN A 42 9.574 12.816 -0.551 1.00 0.69 O ATOM 628 CB ASN A 42 10.638 10.396 0.394 1.00 0.73 C ATOM 629 CG ASN A 42 11.693 11.317 0.974 1.00 1.12 C ATOM 630 OD1 ASN A 42 11.500 11.943 2.015 1.00 1.79 O ATOM 631 ND2 ASN A 42 12.823 11.367 0.341 1.00 1.72 N ATOM 0 H ASN A 42 7.892 9.201 1.092 1.00 0.46 H new ATOM 0 HA ASN A 42 9.137 10.911 1.831 1.00 0.57 H new ATOM 0 HB2 ASN A 42 10.820 9.382 0.750 1.00 0.73 H new ATOM 0 HB3 ASN A 42 10.744 10.377 -0.691 1.00 0.73 H new ATOM 0 HD21 ASN A 42 13.586 11.938 0.704 1.00 1.72 H new ATOM 0 HD22 ASN A 42 12.949 10.835 -0.520 1.00 1.72 H new ATOM 638 N GLY A 43 7.520 12.491 0.345 1.00 0.45 N ATOM 639 CA GLY A 43 6.946 13.741 -0.134 1.00 0.51 C ATOM 640 C GLY A 43 6.781 13.813 -1.651 1.00 0.47 C ATOM 641 O GLY A 43 6.377 14.841 -2.187 1.00 0.61 O ATOM 0 H GLY A 43 6.857 11.902 0.849 1.00 0.45 H new ATOM 0 HA2 GLY A 43 5.972 13.883 0.333 1.00 0.51 H new ATOM 0 HA3 GLY A 43 7.579 14.567 0.191 1.00 0.51 H new ATOM 645 N SER A 44 7.073 12.739 -2.332 1.00 0.38 N ATOM 646 CA SER A 44 7.011 12.703 -3.761 1.00 0.40 C ATOM 647 C SER A 44 6.066 11.603 -4.181 1.00 0.33 C ATOM 648 O SER A 44 5.735 10.713 -3.404 1.00 0.28 O ATOM 649 CB SER A 44 8.428 12.473 -4.312 1.00 0.51 C ATOM 650 OG SER A 44 8.491 12.660 -5.725 1.00 1.37 O ATOM 0 H SER A 44 7.362 11.859 -1.904 1.00 0.38 H new ATOM 0 HA SER A 44 6.637 13.645 -4.161 1.00 0.40 H new ATOM 0 HB2 SER A 44 9.122 13.158 -3.825 1.00 0.51 H new ATOM 0 HB3 SER A 44 8.753 11.462 -4.066 1.00 0.51 H new ATOM 0 HG SER A 44 9.408 12.506 -6.035 1.00 1.37 H new ATOM 656 N VAL A 45 5.620 11.689 -5.391 1.00 0.41 N ATOM 657 CA VAL A 45 4.664 10.773 -5.938 1.00 0.41 C ATOM 658 C VAL A 45 5.328 9.453 -6.272 1.00 0.39 C ATOM 659 O VAL A 45 6.249 9.402 -7.101 1.00 0.45 O ATOM 660 CB VAL A 45 4.012 11.369 -7.214 1.00 0.55 C ATOM 661 CG1 VAL A 45 3.090 10.380 -7.873 1.00 0.68 C ATOM 662 CG2 VAL A 45 3.232 12.606 -6.874 1.00 0.70 C ATOM 0 H VAL A 45 5.915 12.414 -6.045 1.00 0.41 H new ATOM 0 HA VAL A 45 3.889 10.601 -5.191 1.00 0.41 H new ATOM 0 HB VAL A 45 4.818 11.615 -7.905 1.00 0.55 H new ATOM 0 HG11 VAL A 45 2.650 10.830 -8.763 1.00 0.68 H new ATOM 0 HG12 VAL A 45 3.653 9.490 -8.156 1.00 0.68 H new ATOM 0 HG13 VAL A 45 2.298 10.102 -7.178 1.00 0.68 H new ATOM 0 HG21 VAL A 45 2.781 13.012 -7.779 1.00 0.70 H new ATOM 0 HG22 VAL A 45 2.448 12.357 -6.158 1.00 0.70 H new ATOM 0 HG23 VAL A 45 3.900 13.348 -6.437 1.00 0.70 H new ATOM 672 N LEU A 46 4.892 8.390 -5.625 1.00 0.37 N ATOM 673 CA LEU A 46 5.421 7.097 -5.932 1.00 0.40 C ATOM 674 C LEU A 46 4.729 6.531 -7.122 1.00 0.44 C ATOM 675 O LEU A 46 3.595 6.044 -7.026 1.00 0.51 O ATOM 676 CB LEU A 46 5.321 6.093 -4.769 1.00 0.44 C ATOM 677 CG LEU A 46 5.827 4.648 -5.081 1.00 0.51 C ATOM 678 CD1 LEU A 46 7.298 4.660 -5.486 1.00 0.57 C ATOM 679 CD2 LEU A 46 5.634 3.741 -3.876 1.00 0.61 C ATOM 0 H LEU A 46 4.181 8.405 -4.894 1.00 0.37 H new ATOM 0 HA LEU A 46 6.482 7.248 -6.133 1.00 0.40 H new ATOM 0 HB2 LEU A 46 5.890 6.484 -3.925 1.00 0.44 H new ATOM 0 HB3 LEU A 46 4.280 6.034 -4.452 1.00 0.44 H new ATOM 0 HG LEU A 46 5.239 4.263 -5.914 1.00 0.51 H new ATOM 0 HD11 LEU A 46 7.625 3.642 -5.698 1.00 0.57 H new ATOM 0 HD12 LEU A 46 7.425 5.275 -6.377 1.00 0.57 H new ATOM 0 HD13 LEU A 46 7.896 5.072 -4.673 1.00 0.57 H new ATOM 0 HD21 LEU A 46 5.992 2.739 -4.113 1.00 0.61 H new ATOM 0 HD22 LEU A 46 6.196 4.136 -3.029 1.00 0.61 H new ATOM 0 HD23 LEU A 46 4.575 3.696 -3.620 1.00 0.61 H new ATOM 691 N ASN A 47 5.357 6.665 -8.237 1.00 0.54 N ATOM 692 CA ASN A 47 4.951 5.960 -9.398 1.00 0.59 C ATOM 693 C ASN A 47 5.630 4.606 -9.261 1.00 0.53 C ATOM 694 O ASN A 47 6.829 4.474 -9.528 1.00 0.64 O ATOM 695 CB ASN A 47 5.393 6.707 -10.672 1.00 0.79 C ATOM 696 CG ASN A 47 5.202 5.908 -11.957 1.00 1.54 C ATOM 697 OD1 ASN A 47 6.096 5.189 -12.379 1.00 2.47 O ATOM 698 ND2 ASN A 47 4.082 6.069 -12.612 1.00 1.94 N ATOM 0 H ASN A 47 6.169 7.269 -8.368 1.00 0.54 H new ATOM 0 HA ASN A 47 3.869 5.863 -9.486 1.00 0.59 H new ATOM 0 HB2 ASN A 47 4.831 7.638 -10.748 1.00 0.79 H new ATOM 0 HB3 ASN A 47 6.445 6.976 -10.577 1.00 0.79 H new ATOM 0 HD21 ASN A 47 3.937 5.588 -13.500 1.00 1.94 H new ATOM 0 HD22 ASN A 47 3.354 6.675 -12.235 1.00 1.94 H new ATOM 705 N GLU A 48 4.888 3.656 -8.729 1.00 0.49 N ATOM 706 CA GLU A 48 5.398 2.353 -8.352 1.00 0.53 C ATOM 707 C GLU A 48 6.060 1.611 -9.520 1.00 0.53 C ATOM 708 O GLU A 48 5.458 1.412 -10.586 1.00 0.70 O ATOM 709 CB GLU A 48 4.326 1.513 -7.645 1.00 0.69 C ATOM 710 CG GLU A 48 3.038 1.365 -8.405 1.00 0.74 C ATOM 711 CD GLU A 48 2.050 2.508 -8.265 1.00 1.12 C ATOM 712 OE1 GLU A 48 2.204 3.541 -8.951 1.00 1.56 O ATOM 713 OE2 GLU A 48 1.063 2.371 -7.524 1.00 1.74 O ATOM 0 H GLU A 48 3.892 3.771 -8.543 1.00 0.49 H new ATOM 0 HA GLU A 48 6.196 2.523 -7.629 1.00 0.53 H new ATOM 0 HB2 GLU A 48 4.732 0.521 -7.450 1.00 0.69 H new ATOM 0 HB3 GLU A 48 4.110 1.965 -6.677 1.00 0.69 H new ATOM 0 HG2 GLU A 48 3.275 1.242 -9.462 1.00 0.74 H new ATOM 0 HG3 GLU A 48 2.550 0.447 -8.079 1.00 0.74 H new ATOM 720 N THR A 49 7.290 1.207 -9.299 1.00 0.53 N ATOM 721 CA THR A 49 8.148 0.641 -10.311 1.00 0.58 C ATOM 722 C THR A 49 8.267 -0.886 -10.172 1.00 0.60 C ATOM 723 O THR A 49 7.475 -1.515 -9.480 1.00 0.65 O ATOM 724 CB THR A 49 9.552 1.267 -10.170 1.00 0.71 C ATOM 725 OG1 THR A 49 10.028 1.071 -8.817 1.00 1.57 O ATOM 726 CG2 THR A 49 9.516 2.747 -10.475 1.00 0.98 C ATOM 0 H THR A 49 7.733 1.266 -8.382 1.00 0.53 H new ATOM 0 HA THR A 49 7.715 0.857 -11.288 1.00 0.58 H new ATOM 0 HB THR A 49 10.221 0.782 -10.880 1.00 0.71 H new ATOM 0 HG1 THR A 49 10.842 1.598 -8.677 1.00 1.57 H new ATOM 0 HG21 THR A 49 10.517 3.165 -10.369 1.00 0.98 H new ATOM 0 HG22 THR A 49 9.166 2.900 -11.496 1.00 0.98 H new ATOM 0 HG23 THR A 49 8.839 3.245 -9.781 1.00 0.98 H new ATOM 734 N SER A 50 9.239 -1.479 -10.839 1.00 0.68 N ATOM 735 CA SER A 50 9.512 -2.891 -10.689 1.00 0.78 C ATOM 736 C SER A 50 10.422 -3.095 -9.464 1.00 0.72 C ATOM 737 O SER A 50 10.665 -4.220 -9.010 1.00 0.86 O ATOM 738 CB SER A 50 10.197 -3.400 -11.948 1.00 0.96 C ATOM 739 OG SER A 50 9.454 -3.032 -13.106 1.00 1.52 O ATOM 0 H SER A 50 9.855 -0.998 -11.494 1.00 0.68 H new ATOM 0 HA SER A 50 8.585 -3.445 -10.541 1.00 0.78 H new ATOM 0 HB2 SER A 50 11.205 -2.991 -12.011 1.00 0.96 H new ATOM 0 HB3 SER A 50 10.296 -4.485 -11.902 1.00 0.96 H new ATOM 0 HG SER A 50 9.910 -3.366 -13.907 1.00 1.52 H new ATOM 745 N PHE A 51 10.927 -1.989 -8.941 1.00 0.64 N ATOM 746 CA PHE A 51 11.775 -2.011 -7.777 1.00 0.68 C ATOM 747 C PHE A 51 10.914 -1.915 -6.535 1.00 0.55 C ATOM 748 O PHE A 51 11.169 -2.583 -5.536 1.00 0.61 O ATOM 749 CB PHE A 51 12.791 -0.860 -7.814 1.00 0.87 C ATOM 750 CG PHE A 51 13.708 -0.892 -9.010 1.00 1.08 C ATOM 751 CD1 PHE A 51 14.799 -1.746 -9.048 1.00 1.39 C ATOM 752 CD2 PHE A 51 13.478 -0.062 -10.094 1.00 1.16 C ATOM 753 CE1 PHE A 51 15.638 -1.770 -10.145 1.00 1.59 C ATOM 754 CE2 PHE A 51 14.313 -0.083 -11.191 1.00 1.37 C ATOM 755 CZ PHE A 51 15.401 -0.966 -11.210 1.00 1.52 C ATOM 0 H PHE A 51 10.756 -1.056 -9.316 1.00 0.64 H new ATOM 0 HA PHE A 51 12.335 -2.946 -7.763 1.00 0.68 H new ATOM 0 HB2 PHE A 51 12.252 0.087 -7.807 1.00 0.87 H new ATOM 0 HB3 PHE A 51 13.393 -0.891 -6.906 1.00 0.87 H new ATOM 0 HD1 PHE A 51 14.995 -2.400 -8.211 1.00 1.39 H new ATOM 0 HD2 PHE A 51 12.633 0.611 -10.080 1.00 1.16 H new ATOM 0 HE1 PHE A 51 16.489 -2.434 -10.154 1.00 1.59 H new ATOM 0 HE2 PHE A 51 14.130 0.575 -12.028 1.00 1.37 H new ATOM 0 HZ PHE A 51 16.050 -1.006 -12.072 1.00 1.52 H new ATOM 765 N ILE A 52 9.893 -1.090 -6.609 1.00 0.46 N ATOM 766 CA ILE A 52 8.947 -0.919 -5.525 1.00 0.39 C ATOM 767 C ILE A 52 7.565 -1.121 -6.115 1.00 0.37 C ATOM 768 O ILE A 52 7.083 -0.249 -6.831 1.00 0.43 O ATOM 769 CB ILE A 52 8.999 0.532 -4.964 1.00 0.41 C ATOM 770 CG1 ILE A 52 10.436 0.960 -4.641 1.00 0.46 C ATOM 771 CG2 ILE A 52 8.118 0.639 -3.719 1.00 0.41 C ATOM 772 CD1 ILE A 52 10.573 2.439 -4.333 1.00 0.50 C ATOM 0 H ILE A 52 9.693 -0.515 -7.427 1.00 0.46 H new ATOM 0 HA ILE A 52 9.179 -1.621 -4.724 1.00 0.39 H new ATOM 0 HB ILE A 52 8.621 1.206 -5.732 1.00 0.41 H new ATOM 0 HG12 ILE A 52 10.795 0.385 -3.788 1.00 0.46 H new ATOM 0 HG13 ILE A 52 11.079 0.712 -5.486 1.00 0.46 H new ATOM 0 HG21 ILE A 52 8.159 1.657 -3.331 1.00 0.41 H new ATOM 0 HG22 ILE A 52 7.089 0.390 -3.979 1.00 0.41 H new ATOM 0 HG23 ILE A 52 8.477 -0.054 -2.958 1.00 0.41 H new ATOM 0 HD11 ILE A 52 11.615 2.670 -4.114 1.00 0.50 H new ATOM 0 HD12 ILE A 52 10.245 3.022 -5.194 1.00 0.50 H new ATOM 0 HD13 ILE A 52 9.957 2.689 -3.470 1.00 0.50 H new ATOM 784 N PHE A 53 6.932 -2.234 -5.837 1.00 0.33 N ATOM 785 CA PHE A 53 5.630 -2.485 -6.427 1.00 0.37 C ATOM 786 C PHE A 53 4.606 -2.930 -5.412 1.00 0.31 C ATOM 787 O PHE A 53 4.936 -3.548 -4.380 1.00 0.29 O ATOM 788 CB PHE A 53 5.695 -3.441 -7.643 1.00 0.48 C ATOM 789 CG PHE A 53 6.352 -4.778 -7.420 1.00 1.06 C ATOM 790 CD1 PHE A 53 7.664 -4.984 -7.801 1.00 1.95 C ATOM 791 CD2 PHE A 53 5.653 -5.832 -6.865 1.00 1.15 C ATOM 792 CE1 PHE A 53 8.266 -6.211 -7.631 1.00 2.87 C ATOM 793 CE2 PHE A 53 6.254 -7.062 -6.686 1.00 2.02 C ATOM 794 CZ PHE A 53 7.562 -7.250 -7.072 1.00 2.89 C ATOM 0 H PHE A 53 7.282 -2.968 -5.221 1.00 0.33 H new ATOM 0 HA PHE A 53 5.291 -1.522 -6.809 1.00 0.37 H new ATOM 0 HB2 PHE A 53 4.677 -3.616 -7.992 1.00 0.48 H new ATOM 0 HB3 PHE A 53 6.225 -2.932 -8.448 1.00 0.48 H new ATOM 0 HD1 PHE A 53 8.225 -4.172 -8.238 1.00 1.95 H new ATOM 0 HD2 PHE A 53 4.624 -5.692 -6.568 1.00 1.15 H new ATOM 0 HE1 PHE A 53 9.291 -6.356 -7.937 1.00 2.87 H new ATOM 0 HE2 PHE A 53 5.699 -7.876 -6.244 1.00 2.02 H new ATOM 0 HZ PHE A 53 8.034 -8.212 -6.936 1.00 2.89 H new ATOM 804 N THR A 54 3.376 -2.598 -5.696 1.00 0.35 N ATOM 805 CA THR A 54 2.279 -2.895 -4.831 1.00 0.35 C ATOM 806 C THR A 54 1.649 -4.235 -5.221 1.00 0.35 C ATOM 807 O THR A 54 1.045 -4.367 -6.288 1.00 0.40 O ATOM 808 CB THR A 54 1.209 -1.784 -4.925 1.00 0.39 C ATOM 809 OG1 THR A 54 1.835 -0.497 -4.808 1.00 0.43 O ATOM 810 CG2 THR A 54 0.197 -1.933 -3.804 1.00 0.44 C ATOM 0 H THR A 54 3.109 -2.106 -6.549 1.00 0.35 H new ATOM 0 HA THR A 54 2.652 -2.952 -3.808 1.00 0.35 H new ATOM 0 HB THR A 54 0.705 -1.870 -5.888 1.00 0.39 H new ATOM 0 HG1 THR A 54 1.154 0.205 -4.869 1.00 0.43 H new ATOM 0 HG21 THR A 54 -0.551 -1.144 -3.882 1.00 0.44 H new ATOM 0 HG22 THR A 54 -0.291 -2.905 -3.881 1.00 0.44 H new ATOM 0 HG23 THR A 54 0.705 -1.857 -2.843 1.00 0.44 H new ATOM 818 N GLU A 55 1.823 -5.210 -4.377 1.00 0.36 N ATOM 819 CA GLU A 55 1.246 -6.521 -4.557 1.00 0.42 C ATOM 820 C GLU A 55 -0.129 -6.535 -3.931 1.00 0.44 C ATOM 821 O GLU A 55 -0.261 -6.375 -2.712 1.00 0.57 O ATOM 822 CB GLU A 55 2.133 -7.574 -3.881 1.00 0.60 C ATOM 823 CG GLU A 55 3.443 -7.834 -4.596 1.00 1.21 C ATOM 824 CD GLU A 55 3.272 -8.724 -5.809 1.00 1.38 C ATOM 825 OE1 GLU A 55 2.700 -8.300 -6.831 1.00 1.67 O ATOM 826 OE2 GLU A 55 3.710 -9.881 -5.752 1.00 2.04 O ATOM 0 H GLU A 55 2.379 -5.120 -3.527 1.00 0.36 H new ATOM 0 HA GLU A 55 1.172 -6.751 -5.620 1.00 0.42 H new ATOM 0 HB2 GLU A 55 2.346 -7.253 -2.861 1.00 0.60 H new ATOM 0 HB3 GLU A 55 1.578 -8.510 -3.811 1.00 0.60 H new ATOM 0 HG2 GLU A 55 3.880 -6.884 -4.904 1.00 1.21 H new ATOM 0 HG3 GLU A 55 4.145 -8.299 -3.904 1.00 1.21 H new ATOM 833 N PHE A 56 -1.135 -6.661 -4.739 1.00 0.52 N ATOM 834 CA PHE A 56 -2.481 -6.726 -4.248 1.00 0.62 C ATOM 835 C PHE A 56 -2.875 -8.151 -3.963 1.00 0.73 C ATOM 836 O PHE A 56 -2.545 -9.073 -4.711 1.00 0.87 O ATOM 837 CB PHE A 56 -3.479 -6.072 -5.209 1.00 0.68 C ATOM 838 CG PHE A 56 -3.437 -4.572 -5.218 1.00 0.63 C ATOM 839 CD1 PHE A 56 -4.273 -3.826 -4.407 1.00 0.69 C ATOM 840 CD2 PHE A 56 -2.546 -3.909 -6.043 1.00 0.61 C ATOM 841 CE1 PHE A 56 -4.221 -2.447 -4.419 1.00 0.69 C ATOM 842 CE2 PHE A 56 -2.488 -2.534 -6.062 1.00 0.59 C ATOM 843 CZ PHE A 56 -3.392 -1.797 -5.217 1.00 0.61 C ATOM 0 H PHE A 56 -1.050 -6.722 -5.754 1.00 0.52 H new ATOM 0 HA PHE A 56 -2.511 -6.160 -3.317 1.00 0.62 H new ATOM 0 HB2 PHE A 56 -3.285 -6.435 -6.218 1.00 0.68 H new ATOM 0 HB3 PHE A 56 -4.486 -6.394 -4.943 1.00 0.68 H new ATOM 0 HD1 PHE A 56 -4.974 -4.328 -3.757 1.00 0.69 H new ATOM 0 HD2 PHE A 56 -1.887 -4.478 -6.681 1.00 0.61 H new ATOM 0 HE1 PHE A 56 -4.871 -1.887 -3.763 1.00 0.69 H new ATOM 0 HE2 PHE A 56 -1.781 -2.020 -6.696 1.00 0.59 H new ATOM 0 HZ PHE A 56 -3.392 -0.717 -5.235 1.00 0.61 H new ATOM 853 N LEU A 57 -3.540 -8.326 -2.872 1.00 0.77 N ATOM 854 CA LEU A 57 -4.039 -9.597 -2.470 1.00 0.93 C ATOM 855 C LEU A 57 -5.488 -9.688 -2.790 1.00 1.04 C ATOM 856 O LEU A 57 -6.249 -8.739 -2.561 1.00 1.04 O ATOM 857 CB LEU A 57 -3.809 -9.831 -0.992 1.00 1.01 C ATOM 858 CG LEU A 57 -2.521 -10.520 -0.614 1.00 0.99 C ATOM 859 CD1 LEU A 57 -2.329 -10.456 0.894 1.00 1.25 C ATOM 860 CD2 LEU A 57 -2.598 -11.967 -1.058 1.00 1.16 C ATOM 0 H LEU A 57 -3.757 -7.572 -2.220 1.00 0.77 H new ATOM 0 HA LEU A 57 -3.500 -10.371 -3.017 1.00 0.93 H new ATOM 0 HB2 LEU A 57 -3.842 -8.867 -0.484 1.00 1.01 H new ATOM 0 HB3 LEU A 57 -4.639 -10.423 -0.607 1.00 1.01 H new ATOM 0 HG LEU A 57 -1.679 -10.026 -1.099 1.00 0.99 H new ATOM 0 HD11 LEU A 57 -1.398 -10.954 1.164 1.00 1.25 H new ATOM 0 HD12 LEU A 57 -2.288 -9.414 1.212 1.00 1.25 H new ATOM 0 HD13 LEU A 57 -3.163 -10.954 1.388 1.00 1.25 H new ATOM 0 HD21 LEU A 57 -1.673 -12.479 -0.792 1.00 1.16 H new ATOM 0 HD22 LEU A 57 -3.438 -12.455 -0.564 1.00 1.16 H new ATOM 0 HD23 LEU A 57 -2.738 -12.009 -2.138 1.00 1.16 H new ATOM 872 N GLU A 58 -5.850 -10.816 -3.311 1.00 1.18 N ATOM 873 CA GLU A 58 -7.179 -11.112 -3.767 1.00 1.31 C ATOM 874 C GLU A 58 -8.175 -11.209 -2.607 1.00 1.24 C ATOM 875 O GLU A 58 -8.065 -12.098 -1.763 1.00 1.32 O ATOM 876 CB GLU A 58 -7.134 -12.424 -4.534 1.00 1.61 C ATOM 877 CG GLU A 58 -6.214 -12.384 -5.747 1.00 2.01 C ATOM 878 CD GLU A 58 -6.592 -11.309 -6.735 1.00 2.65 C ATOM 879 OE1 GLU A 58 -6.118 -10.174 -6.611 1.00 3.36 O ATOM 880 OE2 GLU A 58 -7.369 -11.589 -7.672 1.00 2.90 O ATOM 0 H GLU A 58 -5.202 -11.593 -3.438 1.00 1.18 H new ATOM 0 HA GLU A 58 -7.523 -10.301 -4.409 1.00 1.31 H new ATOM 0 HB2 GLU A 58 -6.804 -13.217 -3.863 1.00 1.61 H new ATOM 0 HB3 GLU A 58 -8.142 -12.681 -4.860 1.00 1.61 H new ATOM 0 HG2 GLU A 58 -5.189 -12.220 -5.414 1.00 2.01 H new ATOM 0 HG3 GLU A 58 -6.236 -13.353 -6.246 1.00 2.01 H new ATOM 887 N PRO A 59 -9.121 -10.273 -2.525 1.00 1.21 N ATOM 888 CA PRO A 59 -10.179 -10.297 -1.531 1.00 1.25 C ATOM 889 C PRO A 59 -11.370 -11.095 -2.050 1.00 1.26 C ATOM 890 O PRO A 59 -11.558 -11.237 -3.269 1.00 1.35 O ATOM 891 CB PRO A 59 -10.572 -8.811 -1.396 1.00 1.37 C ATOM 892 CG PRO A 59 -9.839 -8.072 -2.479 1.00 1.39 C ATOM 893 CD PRO A 59 -9.251 -9.104 -3.397 1.00 1.30 C ATOM 0 HA PRO A 59 -9.871 -10.754 -0.591 1.00 1.25 H new ATOM 0 HB2 PRO A 59 -11.649 -8.684 -1.502 1.00 1.37 H new ATOM 0 HB3 PRO A 59 -10.301 -8.426 -0.413 1.00 1.37 H new ATOM 0 HG2 PRO A 59 -10.517 -7.414 -3.023 1.00 1.39 H new ATOM 0 HG3 PRO A 59 -9.056 -7.443 -2.055 1.00 1.39 H new ATOM 0 HD2 PRO A 59 -9.900 -9.305 -4.249 1.00 1.30 H new ATOM 0 HD3 PRO A 59 -8.288 -8.788 -3.797 1.00 1.30 H new ATOM 901 N ALA A 60 -12.159 -11.630 -1.153 1.00 1.29 N ATOM 902 CA ALA A 60 -13.339 -12.346 -1.541 1.00 1.40 C ATOM 903 C ALA A 60 -14.455 -11.363 -1.859 1.00 1.40 C ATOM 904 O ALA A 60 -14.328 -10.178 -1.522 1.00 1.33 O ATOM 905 CB ALA A 60 -13.760 -13.333 -0.471 1.00 1.53 C ATOM 0 H ALA A 60 -12.001 -11.581 -0.146 1.00 1.29 H new ATOM 0 HA ALA A 60 -13.118 -12.924 -2.438 1.00 1.40 H new ATOM 0 HB1 ALA A 60 -14.657 -13.860 -0.795 1.00 1.53 H new ATOM 0 HB2 ALA A 60 -12.958 -14.052 -0.303 1.00 1.53 H new ATOM 0 HB3 ALA A 60 -13.968 -12.798 0.456 1.00 1.53 H new ATOM 911 N ALA A 61 -15.525 -11.803 -2.451 1.00 1.55 N ATOM 912 CA ALA A 61 -16.563 -10.875 -2.894 1.00 1.65 C ATOM 913 C ALA A 61 -17.288 -10.196 -1.725 1.00 1.59 C ATOM 914 O ALA A 61 -17.560 -8.990 -1.760 1.00 1.70 O ATOM 915 CB ALA A 61 -17.562 -11.575 -3.809 1.00 1.91 C ATOM 0 H ALA A 61 -15.716 -12.786 -2.644 1.00 1.55 H new ATOM 0 HA ALA A 61 -16.059 -10.088 -3.456 1.00 1.65 H new ATOM 0 HB1 ALA A 61 -18.325 -10.864 -4.126 1.00 1.91 H new ATOM 0 HB2 ALA A 61 -17.043 -11.964 -4.685 1.00 1.91 H new ATOM 0 HB3 ALA A 61 -18.033 -12.398 -3.271 1.00 1.91 H new ATOM 921 N ASN A 62 -17.535 -10.955 -0.677 1.00 1.52 N ATOM 922 CA ASN A 62 -18.340 -10.479 0.455 1.00 1.56 C ATOM 923 C ASN A 62 -17.553 -9.698 1.493 1.00 1.33 C ATOM 924 O ASN A 62 -18.135 -9.198 2.471 1.00 1.40 O ATOM 925 CB ASN A 62 -19.103 -11.632 1.129 1.00 1.82 C ATOM 926 CG ASN A 62 -20.136 -12.269 0.221 1.00 2.72 C ATOM 927 OD1 ASN A 62 -20.715 -11.612 -0.637 1.00 3.49 O ATOM 928 ND2 ASN A 62 -20.367 -13.539 0.391 1.00 3.19 N ATOM 0 H ASN A 62 -17.193 -11.910 -0.575 1.00 1.52 H new ATOM 0 HA ASN A 62 -19.052 -9.780 0.017 1.00 1.56 H new ATOM 0 HB2 ASN A 62 -18.391 -12.393 1.450 1.00 1.82 H new ATOM 0 HB3 ASN A 62 -19.597 -11.258 2.026 1.00 1.82 H new ATOM 0 HD21 ASN A 62 -21.048 -14.017 -0.199 1.00 3.19 H new ATOM 0 HD22 ASN A 62 -19.867 -14.056 1.115 1.00 3.19 H new ATOM 935 N GLU A 63 -16.258 -9.572 1.316 1.00 1.20 N ATOM 936 CA GLU A 63 -15.477 -8.816 2.270 1.00 1.07 C ATOM 937 C GLU A 63 -15.200 -7.444 1.696 1.00 0.90 C ATOM 938 O GLU A 63 -15.276 -7.247 0.483 1.00 0.97 O ATOM 939 CB GLU A 63 -14.176 -9.531 2.651 1.00 1.16 C ATOM 940 CG GLU A 63 -13.160 -9.643 1.541 1.00 1.31 C ATOM 941 CD GLU A 63 -11.943 -10.403 1.966 1.00 1.42 C ATOM 942 OE1 GLU A 63 -11.102 -9.834 2.672 1.00 1.48 O ATOM 943 OE2 GLU A 63 -11.794 -11.574 1.588 1.00 1.89 O ATOM 0 H GLU A 63 -15.732 -9.973 0.539 1.00 1.20 H new ATOM 0 HA GLU A 63 -16.051 -8.720 3.192 1.00 1.07 H new ATOM 0 HB2 GLU A 63 -13.720 -9.002 3.488 1.00 1.16 H new ATOM 0 HB3 GLU A 63 -14.420 -10.534 3.002 1.00 1.16 H new ATOM 0 HG2 GLU A 63 -13.615 -10.138 0.683 1.00 1.31 H new ATOM 0 HG3 GLU A 63 -12.868 -8.645 1.215 1.00 1.31 H new ATOM 950 N THR A 64 -14.922 -6.506 2.537 1.00 0.80 N ATOM 951 CA THR A 64 -14.697 -5.157 2.101 1.00 0.74 C ATOM 952 C THR A 64 -13.257 -4.736 2.304 1.00 0.59 C ATOM 953 O THR A 64 -12.937 -3.556 2.263 1.00 0.61 O ATOM 954 CB THR A 64 -15.635 -4.215 2.859 1.00 0.90 C ATOM 955 OG1 THR A 64 -15.556 -4.505 4.269 1.00 1.30 O ATOM 956 CG2 THR A 64 -17.064 -4.407 2.387 1.00 1.15 C ATOM 0 H THR A 64 -14.843 -6.645 3.544 1.00 0.80 H new ATOM 0 HA THR A 64 -14.905 -5.104 1.032 1.00 0.74 H new ATOM 0 HB THR A 64 -15.335 -3.184 2.671 1.00 0.90 H new ATOM 0 HG1 THR A 64 -15.085 -3.777 4.727 1.00 1.30 H new ATOM 0 HG21 THR A 64 -17.722 -3.731 2.934 1.00 1.15 H new ATOM 0 HG22 THR A 64 -17.127 -4.191 1.321 1.00 1.15 H new ATOM 0 HG23 THR A 64 -17.371 -5.437 2.567 1.00 1.15 H new ATOM 964 N VAL A 65 -12.388 -5.695 2.517 1.00 0.53 N ATOM 965 CA VAL A 65 -11.017 -5.374 2.768 1.00 0.45 C ATOM 966 C VAL A 65 -10.178 -5.698 1.570 1.00 0.42 C ATOM 967 O VAL A 65 -10.164 -6.829 1.093 1.00 0.49 O ATOM 968 CB VAL A 65 -10.420 -6.119 3.977 1.00 0.52 C ATOM 969 CG1 VAL A 65 -9.051 -5.564 4.304 1.00 0.50 C ATOM 970 CG2 VAL A 65 -11.329 -6.045 5.172 1.00 0.61 C ATOM 0 H VAL A 65 -12.609 -6.691 2.520 1.00 0.53 H new ATOM 0 HA VAL A 65 -11.004 -4.306 2.988 1.00 0.45 H new ATOM 0 HB VAL A 65 -10.318 -7.171 3.712 1.00 0.52 H new ATOM 0 HG11 VAL A 65 -8.637 -6.097 5.160 1.00 0.50 H new ATOM 0 HG12 VAL A 65 -8.392 -5.691 3.445 1.00 0.50 H new ATOM 0 HG13 VAL A 65 -9.136 -4.504 4.543 1.00 0.50 H new ATOM 0 HG21 VAL A 65 -10.877 -6.581 6.007 1.00 0.61 H new ATOM 0 HG22 VAL A 65 -11.481 -5.002 5.450 1.00 0.61 H new ATOM 0 HG23 VAL A 65 -12.289 -6.498 4.927 1.00 0.61 H new ATOM 980 N ARG A 66 -9.477 -4.728 1.107 1.00 0.37 N ATOM 981 CA ARG A 66 -8.559 -4.903 0.032 1.00 0.36 C ATOM 982 C ARG A 66 -7.213 -5.119 0.677 1.00 0.34 C ATOM 983 O ARG A 66 -6.713 -4.248 1.405 1.00 0.41 O ATOM 984 CB ARG A 66 -8.552 -3.671 -0.869 1.00 0.42 C ATOM 985 CG ARG A 66 -9.913 -3.353 -1.485 1.00 1.13 C ATOM 986 CD ARG A 66 -9.918 -2.005 -2.190 1.00 1.10 C ATOM 987 NE ARG A 66 -8.933 -1.922 -3.279 1.00 0.82 N ATOM 988 CZ ARG A 66 -8.595 -0.801 -3.930 1.00 1.15 C ATOM 989 NH1 ARG A 66 -9.191 0.332 -3.636 1.00 1.61 N ATOM 990 NH2 ARG A 66 -7.690 -0.827 -4.892 1.00 1.84 N ATOM 0 H ARG A 66 -9.523 -3.775 1.467 1.00 0.37 H new ATOM 0 HA ARG A 66 -8.830 -5.747 -0.603 1.00 0.36 H new ATOM 0 HB2 ARG A 66 -8.215 -2.811 -0.291 1.00 0.42 H new ATOM 0 HB3 ARG A 66 -7.827 -3.821 -1.669 1.00 0.42 H new ATOM 0 HG2 ARG A 66 -10.181 -4.135 -2.196 1.00 1.13 H new ATOM 0 HG3 ARG A 66 -10.674 -3.357 -0.705 1.00 1.13 H new ATOM 0 HD2 ARG A 66 -10.913 -1.815 -2.592 1.00 1.10 H new ATOM 0 HD3 ARG A 66 -9.714 -1.220 -1.462 1.00 1.10 H new ATOM 0 HE ARG A 66 -8.471 -2.786 -3.561 1.00 0.82 H new ATOM 0 HH11 ARG A 66 -9.910 0.357 -2.913 1.00 1.61 H new ATOM 0 HH12 ARG A 66 -8.935 1.186 -4.131 1.00 1.61 H new ATOM 0 HH21 ARG A 66 -7.241 -1.707 -5.146 1.00 1.84 H new ATOM 0 HH22 ARG A 66 -7.441 0.033 -5.381 1.00 1.84 H new ATOM 1004 N HIS A 67 -6.655 -6.275 0.470 1.00 0.35 N ATOM 1005 CA HIS A 67 -5.419 -6.645 1.139 1.00 0.39 C ATOM 1006 C HIS A 67 -4.286 -6.408 0.191 1.00 0.35 C ATOM 1007 O HIS A 67 -4.471 -6.509 -1.024 1.00 0.46 O ATOM 1008 CB HIS A 67 -5.420 -8.142 1.543 1.00 0.53 C ATOM 1009 CG HIS A 67 -6.623 -8.611 2.295 1.00 0.69 C ATOM 1010 ND1 HIS A 67 -6.717 -8.609 3.659 1.00 1.08 N ATOM 1011 CD2 HIS A 67 -7.787 -9.119 1.843 1.00 0.72 C ATOM 1012 CE1 HIS A 67 -7.885 -9.091 4.016 1.00 1.16 C ATOM 1013 NE2 HIS A 67 -8.552 -9.405 2.928 1.00 0.90 N ATOM 0 H HIS A 67 -7.029 -6.988 -0.157 1.00 0.35 H new ATOM 0 HA HIS A 67 -5.317 -6.045 2.044 1.00 0.39 H new ATOM 0 HB2 HIS A 67 -5.323 -8.743 0.639 1.00 0.53 H new ATOM 0 HB3 HIS A 67 -4.536 -8.336 2.151 1.00 0.53 H new ATOM 0 HD2 HIS A 67 -8.061 -9.271 0.809 1.00 0.72 H new ATOM 0 HE1 HIS A 67 -8.237 -9.209 5.030 1.00 1.16 H new ATOM 0 HE2 HIS A 67 -9.492 -9.800 2.903 1.00 0.90 H new ATOM 1022 N GLY A 68 -3.138 -6.085 0.702 1.00 0.30 N ATOM 1023 CA GLY A 68 -2.020 -5.905 -0.156 1.00 0.31 C ATOM 1024 C GLY A 68 -0.749 -5.702 0.601 1.00 0.24 C ATOM 1025 O GLY A 68 -0.754 -5.600 1.829 1.00 0.26 O ATOM 0 H GLY A 68 -2.957 -5.943 1.696 1.00 0.30 H new ATOM 0 HA2 GLY A 68 -1.919 -6.776 -0.804 1.00 0.31 H new ATOM 0 HA3 GLY A 68 -2.196 -5.045 -0.802 1.00 0.31 H new ATOM 1029 N CYS A 69 0.319 -5.634 -0.122 1.00 0.21 N ATOM 1030 CA CYS A 69 1.625 -5.424 0.419 1.00 0.20 C ATOM 1031 C CYS A 69 2.446 -4.576 -0.529 1.00 0.19 C ATOM 1032 O CYS A 69 2.445 -4.811 -1.739 1.00 0.22 O ATOM 1033 CB CYS A 69 2.329 -6.773 0.639 1.00 0.25 C ATOM 1034 SG CYS A 69 4.123 -6.638 0.969 1.00 0.36 S ATOM 0 H CYS A 69 0.309 -5.726 -1.138 1.00 0.21 H new ATOM 0 HA CYS A 69 1.529 -4.909 1.375 1.00 0.20 H new ATOM 0 HB2 CYS A 69 1.855 -7.285 1.476 1.00 0.25 H new ATOM 0 HB3 CYS A 69 2.179 -7.396 -0.243 1.00 0.25 H new ATOM 1039 N LEU A 70 3.100 -3.575 -0.007 1.00 0.20 N ATOM 1040 CA LEU A 70 4.035 -2.822 -0.792 1.00 0.22 C ATOM 1041 C LEU A 70 5.354 -3.534 -0.646 1.00 0.23 C ATOM 1042 O LEU A 70 5.911 -3.604 0.456 1.00 0.24 O ATOM 1043 CB LEU A 70 4.157 -1.379 -0.306 1.00 0.24 C ATOM 1044 CG LEU A 70 5.035 -0.462 -1.165 1.00 0.25 C ATOM 1045 CD1 LEU A 70 4.432 -0.267 -2.543 1.00 0.26 C ATOM 1046 CD2 LEU A 70 5.239 0.872 -0.492 1.00 0.28 C ATOM 0 H LEU A 70 3.002 -3.263 0.959 1.00 0.20 H new ATOM 0 HA LEU A 70 3.707 -2.765 -1.830 1.00 0.22 H new ATOM 0 HB2 LEU A 70 3.158 -0.948 -0.251 1.00 0.24 H new ATOM 0 HB3 LEU A 70 4.556 -1.389 0.708 1.00 0.24 H new ATOM 0 HG LEU A 70 6.006 -0.944 -1.279 1.00 0.25 H new ATOM 0 HD11 LEU A 70 5.075 0.387 -3.132 1.00 0.26 H new ATOM 0 HD12 LEU A 70 4.343 -1.232 -3.041 1.00 0.26 H new ATOM 0 HD13 LEU A 70 3.444 0.184 -2.447 1.00 0.26 H new ATOM 0 HD21 LEU A 70 5.865 1.505 -1.121 1.00 0.28 H new ATOM 0 HD22 LEU A 70 4.273 1.354 -0.339 1.00 0.28 H new ATOM 0 HD23 LEU A 70 5.726 0.723 0.472 1.00 0.28 H new ATOM 1058 N ARG A 71 5.822 -4.095 -1.710 1.00 0.30 N ATOM 1059 CA ARG A 71 6.991 -4.909 -1.664 1.00 0.35 C ATOM 1060 C ARG A 71 8.172 -4.218 -2.290 1.00 0.36 C ATOM 1061 O ARG A 71 8.124 -3.794 -3.459 1.00 0.42 O ATOM 1062 CB ARG A 71 6.739 -6.249 -2.366 1.00 0.51 C ATOM 1063 CG ARG A 71 7.987 -7.105 -2.497 1.00 1.20 C ATOM 1064 CD ARG A 71 7.736 -8.353 -3.312 1.00 1.20 C ATOM 1065 NE ARG A 71 9.000 -9.016 -3.644 1.00 1.43 N ATOM 1066 CZ ARG A 71 9.180 -9.868 -4.657 1.00 1.80 C ATOM 1067 NH1 ARG A 71 8.144 -10.280 -5.376 1.00 1.98 N ATOM 1068 NH2 ARG A 71 10.406 -10.311 -4.943 1.00 2.68 N ATOM 0 H ARG A 71 5.405 -4.003 -2.636 1.00 0.30 H new ATOM 0 HA ARG A 71 7.222 -5.090 -0.614 1.00 0.35 H new ATOM 0 HB2 ARG A 71 5.983 -6.805 -1.812 1.00 0.51 H new ATOM 0 HB3 ARG A 71 6.331 -6.060 -3.359 1.00 0.51 H new ATOM 0 HG2 ARG A 71 8.780 -6.521 -2.964 1.00 1.20 H new ATOM 0 HG3 ARG A 71 8.340 -7.385 -1.505 1.00 1.20 H new ATOM 0 HD2 ARG A 71 7.097 -9.036 -2.753 1.00 1.20 H new ATOM 0 HD3 ARG A 71 7.203 -8.095 -4.227 1.00 1.20 H new ATOM 0 HE ARG A 71 9.807 -8.811 -3.055 1.00 1.43 H new ATOM 0 HH11 ARG A 71 7.206 -9.946 -5.156 1.00 1.98 H new ATOM 0 HH12 ARG A 71 8.286 -10.931 -6.149 1.00 1.98 H new ATOM 0 HH21 ARG A 71 11.203 -9.999 -4.389 1.00 2.68 H new ATOM 0 HH22 ARG A 71 10.546 -10.962 -5.716 1.00 2.68 H new ATOM 1082 N LEU A 72 9.218 -4.087 -1.525 1.00 0.37 N ATOM 1083 CA LEU A 72 10.446 -3.607 -2.051 1.00 0.42 C ATOM 1084 C LEU A 72 11.158 -4.800 -2.638 1.00 0.44 C ATOM 1085 O LEU A 72 11.601 -5.704 -1.914 1.00 0.49 O ATOM 1086 CB LEU A 72 11.270 -2.966 -0.936 1.00 0.50 C ATOM 1087 CG LEU A 72 10.577 -1.804 -0.226 1.00 0.70 C ATOM 1088 CD1 LEU A 72 11.310 -1.419 1.035 1.00 1.23 C ATOM 1089 CD2 LEU A 72 10.508 -0.626 -1.145 1.00 0.61 C ATOM 0 H LEU A 72 9.236 -4.310 -0.530 1.00 0.37 H new ATOM 0 HA LEU A 72 10.289 -2.845 -2.815 1.00 0.42 H new ATOM 0 HB2 LEU A 72 11.518 -3.730 -0.199 1.00 0.50 H new ATOM 0 HB3 LEU A 72 12.211 -2.610 -1.355 1.00 0.50 H new ATOM 0 HG LEU A 72 9.571 -2.122 0.048 1.00 0.70 H new ATOM 0 HD11 LEU A 72 10.793 -0.590 1.518 1.00 1.23 H new ATOM 0 HD12 LEU A 72 11.340 -2.272 1.713 1.00 1.23 H new ATOM 0 HD13 LEU A 72 12.327 -1.117 0.787 1.00 1.23 H new ATOM 0 HD21 LEU A 72 10.014 0.203 -0.638 1.00 0.61 H new ATOM 0 HD22 LEU A 72 11.517 -0.327 -1.430 1.00 0.61 H new ATOM 0 HD23 LEU A 72 9.943 -0.894 -2.038 1.00 0.61 H new ATOM 1101 N ASN A 73 11.206 -4.829 -3.943 1.00 0.56 N ATOM 1102 CA ASN A 73 11.826 -5.912 -4.685 1.00 0.72 C ATOM 1103 C ASN A 73 13.319 -5.802 -4.558 1.00 0.73 C ATOM 1104 O ASN A 73 13.990 -6.742 -4.135 1.00 0.87 O ATOM 1105 CB ASN A 73 11.389 -5.860 -6.155 1.00 0.90 C ATOM 1106 CG ASN A 73 12.007 -6.943 -7.041 1.00 1.41 C ATOM 1107 OD1 ASN A 73 12.336 -8.046 -6.588 1.00 2.18 O ATOM 1108 ND2 ASN A 73 12.115 -6.655 -8.309 1.00 1.84 N ATOM 0 H ASN A 73 10.813 -4.096 -4.534 1.00 0.56 H new ATOM 0 HA ASN A 73 11.509 -6.872 -4.277 1.00 0.72 H new ATOM 0 HB2 ASN A 73 10.303 -5.947 -6.201 1.00 0.90 H new ATOM 0 HB3 ASN A 73 11.648 -4.883 -6.563 1.00 0.90 H new ATOM 0 HD21 ASN A 73 12.480 -7.350 -8.960 1.00 1.84 H new ATOM 0 HD22 ASN A 73 11.834 -5.735 -8.649 1.00 1.84 H new ATOM 1115 N GLN A 74 13.829 -4.641 -4.874 1.00 0.66 N ATOM 1116 CA GLN A 74 15.219 -4.372 -4.729 1.00 0.72 C ATOM 1117 C GLN A 74 15.374 -3.348 -3.619 1.00 0.66 C ATOM 1118 O GLN A 74 15.108 -2.161 -3.831 1.00 0.69 O ATOM 1119 CB GLN A 74 15.795 -3.828 -6.042 1.00 0.86 C ATOM 1120 CG GLN A 74 17.299 -3.585 -6.002 1.00 1.58 C ATOM 1121 CD GLN A 74 18.099 -4.849 -5.724 1.00 2.11 C ATOM 1122 OE1 GLN A 74 17.630 -5.971 -6.203 1.00 2.82 O flip ATOM 1123 NE2 GLN A 74 19.158 -4.803 -5.109 1.00 2.58 N flip ATOM 0 H GLN A 74 13.284 -3.860 -5.239 1.00 0.66 H new ATOM 0 HA GLN A 74 15.761 -5.285 -4.482 1.00 0.72 H new ATOM 0 HB2 GLN A 74 15.572 -4.531 -6.844 1.00 0.86 H new ATOM 0 HB3 GLN A 74 15.292 -2.893 -6.288 1.00 0.86 H new ATOM 0 HG2 GLN A 74 17.618 -3.162 -6.954 1.00 1.58 H new ATOM 0 HG3 GLN A 74 17.521 -2.845 -5.234 1.00 1.58 H new ATOM 0 HE21 GLN A 74 19.499 -3.913 -4.747 1.00 2.58 H new ATOM 0 HE22 GLN A 74 19.698 -5.655 -4.959 1.00 2.58 H new ATOM 1132 N PRO A 75 15.752 -3.791 -2.411 1.00 0.75 N ATOM 1133 CA PRO A 75 15.945 -2.888 -1.296 1.00 0.84 C ATOM 1134 C PRO A 75 17.173 -2.007 -1.532 1.00 0.81 C ATOM 1135 O PRO A 75 18.263 -2.502 -1.858 1.00 0.83 O ATOM 1136 CB PRO A 75 16.184 -3.825 -0.099 1.00 1.06 C ATOM 1137 CG PRO A 75 15.754 -5.173 -0.563 1.00 1.25 C ATOM 1138 CD PRO A 75 15.995 -5.185 -2.032 1.00 0.93 C ATOM 0 HA PRO A 75 15.100 -2.216 -1.146 1.00 0.84 H new ATOM 0 HB2 PRO A 75 17.233 -3.827 0.196 1.00 1.06 H new ATOM 0 HB3 PRO A 75 15.609 -3.507 0.771 1.00 1.06 H new ATOM 0 HG2 PRO A 75 16.323 -5.959 -0.066 1.00 1.25 H new ATOM 0 HG3 PRO A 75 14.702 -5.349 -0.337 1.00 1.25 H new ATOM 0 HD2 PRO A 75 17.011 -5.499 -2.273 1.00 0.93 H new ATOM 0 HD3 PRO A 75 15.320 -5.868 -2.547 1.00 0.93 H new ATOM 1146 N THR A 76 16.985 -0.734 -1.373 1.00 0.86 N ATOM 1147 CA THR A 76 18.006 0.262 -1.586 1.00 0.90 C ATOM 1148 C THR A 76 17.900 1.301 -0.465 1.00 0.84 C ATOM 1149 O THR A 76 16.907 1.322 0.274 1.00 0.79 O ATOM 1150 CB THR A 76 17.749 0.939 -2.955 1.00 1.07 C ATOM 1151 OG1 THR A 76 16.353 1.221 -3.082 1.00 1.17 O ATOM 1152 CG2 THR A 76 18.208 0.069 -4.119 1.00 1.22 C ATOM 0 H THR A 76 16.090 -0.340 -1.082 1.00 0.86 H new ATOM 0 HA THR A 76 19.000 -0.186 -1.581 1.00 0.90 H new ATOM 0 HB THR A 76 18.328 1.862 -2.991 1.00 1.07 H new ATOM 0 HG1 THR A 76 16.158 1.502 -4.000 1.00 1.17 H new ATOM 0 HG21 THR A 76 18.008 0.584 -5.059 1.00 1.22 H new ATOM 0 HG22 THR A 76 19.277 -0.123 -4.030 1.00 1.22 H new ATOM 0 HG23 THR A 76 17.667 -0.877 -4.101 1.00 1.22 H new ATOM 1160 N HIS A 77 18.898 2.186 -0.346 1.00 0.92 N ATOM 1161 CA HIS A 77 18.905 3.181 0.739 1.00 0.94 C ATOM 1162 C HIS A 77 17.932 4.310 0.463 1.00 0.81 C ATOM 1163 O HIS A 77 17.725 5.162 1.305 1.00 0.85 O ATOM 1164 CB HIS A 77 20.337 3.719 1.096 1.00 1.20 C ATOM 1165 CG HIS A 77 21.015 4.639 0.094 1.00 1.36 C ATOM 1166 ND1 HIS A 77 21.979 4.218 -0.791 1.00 1.98 N ATOM 1167 CD2 HIS A 77 20.897 5.973 -0.107 1.00 1.62 C ATOM 1168 CE1 HIS A 77 22.415 5.244 -1.489 1.00 2.03 C ATOM 1169 NE2 HIS A 77 21.775 6.312 -1.095 1.00 1.72 N ATOM 0 H HIS A 77 19.699 2.236 -0.975 1.00 0.92 H new ATOM 0 HA HIS A 77 18.564 2.652 1.629 1.00 0.94 H new ATOM 0 HB2 HIS A 77 20.269 4.249 2.046 1.00 1.20 H new ATOM 0 HB3 HIS A 77 20.988 2.860 1.256 1.00 1.20 H new ATOM 0 HD2 HIS A 77 20.232 6.644 0.417 1.00 1.62 H new ATOM 0 HE1 HIS A 77 23.173 5.209 -2.257 1.00 2.03 H new ATOM 0 HE2 HIS A 77 21.910 7.252 -1.467 1.00 1.72 H new ATOM 1178 N VAL A 78 17.334 4.305 -0.726 1.00 0.83 N ATOM 1179 CA VAL A 78 16.300 5.275 -1.051 1.00 0.92 C ATOM 1180 C VAL A 78 14.970 4.807 -0.465 1.00 0.90 C ATOM 1181 O VAL A 78 14.093 5.604 -0.191 1.00 1.08 O ATOM 1182 CB VAL A 78 16.140 5.533 -2.590 1.00 1.15 C ATOM 1183 CG1 VAL A 78 17.429 6.036 -3.206 1.00 1.33 C ATOM 1184 CG2 VAL A 78 15.643 4.302 -3.332 1.00 1.14 C ATOM 0 H VAL A 78 17.548 3.644 -1.473 1.00 0.83 H new ATOM 0 HA VAL A 78 16.608 6.224 -0.612 1.00 0.92 H new ATOM 0 HB VAL A 78 15.382 6.310 -2.695 1.00 1.15 H new ATOM 0 HG11 VAL A 78 17.281 6.204 -4.273 1.00 1.33 H new ATOM 0 HG12 VAL A 78 17.720 6.972 -2.728 1.00 1.33 H new ATOM 0 HG13 VAL A 78 18.215 5.295 -3.061 1.00 1.33 H new ATOM 0 HG21 VAL A 78 15.548 4.531 -4.394 1.00 1.14 H new ATOM 0 HG22 VAL A 78 16.353 3.486 -3.199 1.00 1.14 H new ATOM 0 HG23 VAL A 78 14.671 4.006 -2.936 1.00 1.14 H new ATOM 1194 N ASN A 79 14.876 3.494 -0.196 1.00 0.78 N ATOM 1195 CA ASN A 79 13.646 2.872 0.342 1.00 0.90 C ATOM 1196 C ASN A 79 13.540 3.145 1.807 1.00 0.78 C ATOM 1197 O ASN A 79 12.521 2.883 2.439 1.00 0.96 O ATOM 1198 CB ASN A 79 13.660 1.355 0.142 1.00 1.13 C ATOM 1199 CG ASN A 79 13.670 0.913 -1.302 1.00 1.40 C ATOM 1200 OD1 ASN A 79 14.249 -0.110 -1.629 1.00 2.19 O ATOM 1201 ND2 ASN A 79 13.003 1.636 -2.163 1.00 1.22 N ATOM 0 H ASN A 79 15.641 2.836 -0.342 1.00 0.78 H new ATOM 0 HA ASN A 79 12.798 3.300 -0.194 1.00 0.90 H new ATOM 0 HB2 ASN A 79 14.538 0.944 0.641 1.00 1.13 H new ATOM 0 HB3 ASN A 79 12.785 0.929 0.633 1.00 1.13 H new ATOM 0 HD21 ASN A 79 12.956 1.350 -3.141 1.00 1.22 H new ATOM 0 HD22 ASN A 79 12.530 2.486 -1.857 1.00 1.22 H new ATOM 1208 N ASN A 80 14.606 3.655 2.337 1.00 0.64 N ATOM 1209 CA ASN A 80 14.698 4.042 3.705 1.00 0.59 C ATOM 1210 C ASN A 80 14.111 5.440 3.818 1.00 0.56 C ATOM 1211 O ASN A 80 14.826 6.441 3.855 1.00 0.88 O ATOM 1212 CB ASN A 80 16.181 3.975 4.132 1.00 0.72 C ATOM 1213 CG ASN A 80 16.455 4.414 5.550 1.00 1.05 C ATOM 1214 OD1 ASN A 80 16.306 3.643 6.490 1.00 1.96 O ATOM 1215 ND2 ASN A 80 16.942 5.606 5.709 1.00 1.43 N ATOM 0 H ASN A 80 15.464 3.818 1.810 1.00 0.64 H new ATOM 0 HA ASN A 80 14.142 3.382 4.371 1.00 0.59 H new ATOM 0 HB2 ASN A 80 16.533 2.951 4.010 1.00 0.72 H new ATOM 0 HB3 ASN A 80 16.767 4.596 3.455 1.00 0.72 H new ATOM 0 HD21 ASN A 80 17.214 5.926 6.639 1.00 1.43 H new ATOM 0 HD22 ASN A 80 17.053 6.223 4.904 1.00 1.43 H new ATOM 1222 N GLY A 81 12.807 5.501 3.775 1.00 0.46 N ATOM 1223 CA GLY A 81 12.117 6.750 3.801 1.00 0.49 C ATOM 1224 C GLY A 81 10.678 6.576 4.186 1.00 0.43 C ATOM 1225 O GLY A 81 10.259 5.473 4.581 1.00 0.40 O ATOM 0 H GLY A 81 12.199 4.684 3.721 1.00 0.46 H new ATOM 0 HA2 GLY A 81 12.605 7.422 4.507 1.00 0.49 H new ATOM 0 HA3 GLY A 81 12.178 7.221 2.820 1.00 0.49 H new ATOM 1229 N ASN A 82 9.926 7.631 4.073 1.00 0.45 N ATOM 1230 CA ASN A 82 8.529 7.631 4.468 1.00 0.44 C ATOM 1231 C ASN A 82 7.598 7.284 3.312 1.00 0.37 C ATOM 1232 O ASN A 82 7.667 7.887 2.241 1.00 0.46 O ATOM 1233 CB ASN A 82 8.141 8.995 5.051 1.00 0.56 C ATOM 1234 CG ASN A 82 6.667 9.079 5.407 1.00 1.27 C ATOM 1235 OD1 ASN A 82 5.836 9.454 4.578 1.00 2.23 O ATOM 1236 ND2 ASN A 82 6.334 8.763 6.626 1.00 1.65 N ATOM 0 H ASN A 82 10.255 8.523 3.704 1.00 0.45 H new ATOM 0 HA ASN A 82 8.414 6.858 5.228 1.00 0.44 H new ATOM 0 HB2 ASN A 82 8.738 9.188 5.942 1.00 0.56 H new ATOM 0 HB3 ASN A 82 8.382 9.776 4.330 1.00 0.56 H new ATOM 0 HD21 ASN A 82 5.359 8.822 6.920 1.00 1.65 H new ATOM 0 HD22 ASN A 82 7.048 8.456 7.287 1.00 1.65 H new ATOM 1243 N TYR A 83 6.735 6.323 3.544 1.00 0.29 N ATOM 1244 CA TYR A 83 5.713 5.934 2.604 1.00 0.27 C ATOM 1245 C TYR A 83 4.352 6.260 3.216 1.00 0.28 C ATOM 1246 O TYR A 83 4.047 5.832 4.322 1.00 0.47 O ATOM 1247 CB TYR A 83 5.783 4.425 2.301 1.00 0.34 C ATOM 1248 CG TYR A 83 7.041 3.958 1.588 1.00 0.38 C ATOM 1249 CD1 TYR A 83 7.079 3.869 0.202 1.00 0.60 C ATOM 1250 CD2 TYR A 83 8.178 3.588 2.297 1.00 0.49 C ATOM 1251 CE1 TYR A 83 8.211 3.426 -0.455 1.00 0.69 C ATOM 1252 CE2 TYR A 83 9.312 3.150 1.646 1.00 0.55 C ATOM 1253 CZ TYR A 83 9.325 3.070 0.273 1.00 0.60 C ATOM 1254 OH TYR A 83 10.456 2.622 -0.372 1.00 0.69 O ATOM 0 H TYR A 83 6.724 5.780 4.408 1.00 0.29 H new ATOM 0 HA TYR A 83 5.862 6.476 1.670 1.00 0.27 H new ATOM 0 HB2 TYR A 83 5.695 3.879 3.240 1.00 0.34 H new ATOM 0 HB3 TYR A 83 4.920 4.154 1.693 1.00 0.34 H new ATOM 0 HD1 TYR A 83 6.209 4.151 -0.372 1.00 0.60 H new ATOM 0 HD2 TYR A 83 8.173 3.645 3.376 1.00 0.49 H new ATOM 0 HE1 TYR A 83 8.222 3.359 -1.533 1.00 0.69 H new ATOM 0 HE2 TYR A 83 10.188 2.870 2.213 1.00 0.55 H new ATOM 0 HH TYR A 83 10.783 3.317 -0.980 1.00 0.69 H new ATOM 1264 N THR A 84 3.576 7.038 2.544 1.00 0.22 N ATOM 1265 CA THR A 84 2.259 7.381 3.018 1.00 0.23 C ATOM 1266 C THR A 84 1.212 6.815 2.051 1.00 0.22 C ATOM 1267 O THR A 84 1.323 7.001 0.849 1.00 0.26 O ATOM 1268 CB THR A 84 2.114 8.924 3.153 1.00 0.27 C ATOM 1269 OG1 THR A 84 3.152 9.434 4.024 1.00 0.34 O ATOM 1270 CG2 THR A 84 0.752 9.316 3.721 1.00 0.33 C ATOM 0 H THR A 84 3.826 7.460 1.650 1.00 0.22 H new ATOM 0 HA THR A 84 2.103 6.946 4.005 1.00 0.23 H new ATOM 0 HB THR A 84 2.206 9.355 2.156 1.00 0.27 H new ATOM 0 HG1 THR A 84 4.030 9.202 3.657 1.00 0.34 H new ATOM 0 HG21 THR A 84 0.689 10.401 3.800 1.00 0.33 H new ATOM 0 HG22 THR A 84 -0.036 8.954 3.060 1.00 0.33 H new ATOM 0 HG23 THR A 84 0.629 8.873 4.709 1.00 0.33 H new ATOM 1278 N LEU A 85 0.240 6.105 2.567 1.00 0.20 N ATOM 1279 CA LEU A 85 -0.795 5.541 1.735 1.00 0.19 C ATOM 1280 C LEU A 85 -2.018 6.420 1.805 1.00 0.18 C ATOM 1281 O LEU A 85 -2.609 6.593 2.877 1.00 0.19 O ATOM 1282 CB LEU A 85 -1.142 4.096 2.153 1.00 0.20 C ATOM 1283 CG LEU A 85 -2.190 3.373 1.291 1.00 0.20 C ATOM 1284 CD1 LEU A 85 -1.723 3.304 -0.128 1.00 0.21 C ATOM 1285 CD2 LEU A 85 -2.438 1.973 1.807 1.00 0.22 C ATOM 0 H LEU A 85 0.143 5.903 3.562 1.00 0.20 H new ATOM 0 HA LEU A 85 -0.429 5.498 0.709 1.00 0.19 H new ATOM 0 HB2 LEU A 85 -0.225 3.507 2.143 1.00 0.20 H new ATOM 0 HB3 LEU A 85 -1.499 4.114 3.183 1.00 0.20 H new ATOM 0 HG LEU A 85 -3.122 3.936 1.344 1.00 0.20 H new ATOM 0 HD11 LEU A 85 -2.471 2.790 -0.733 1.00 0.21 H new ATOM 0 HD12 LEU A 85 -1.577 4.313 -0.512 1.00 0.21 H new ATOM 0 HD13 LEU A 85 -0.781 2.758 -0.175 1.00 0.21 H new ATOM 0 HD21 LEU A 85 -3.183 1.481 1.181 1.00 0.22 H new ATOM 0 HD22 LEU A 85 -1.508 1.405 1.779 1.00 0.22 H new ATOM 0 HD23 LEU A 85 -2.802 2.023 2.833 1.00 0.22 H new ATOM 1297 N LEU A 86 -2.348 7.012 0.697 1.00 0.20 N ATOM 1298 CA LEU A 86 -3.505 7.860 0.580 1.00 0.22 C ATOM 1299 C LEU A 86 -4.583 7.087 -0.130 1.00 0.22 C ATOM 1300 O LEU A 86 -4.317 6.457 -1.157 1.00 0.27 O ATOM 1301 CB LEU A 86 -3.214 9.144 -0.258 1.00 0.28 C ATOM 1302 CG LEU A 86 -2.153 10.152 0.239 1.00 0.32 C ATOM 1303 CD1 LEU A 86 -2.411 10.579 1.663 1.00 0.36 C ATOM 1304 CD2 LEU A 86 -0.737 9.638 0.058 1.00 0.32 C ATOM 0 H LEU A 86 -1.815 6.920 -0.168 1.00 0.20 H new ATOM 0 HA LEU A 86 -3.801 8.163 1.584 1.00 0.22 H new ATOM 0 HB2 LEU A 86 -2.917 8.822 -1.256 1.00 0.28 H new ATOM 0 HB3 LEU A 86 -4.154 9.685 -0.364 1.00 0.28 H new ATOM 0 HG LEU A 86 -2.248 11.037 -0.390 1.00 0.32 H new ATOM 0 HD11 LEU A 86 -1.644 11.287 1.975 1.00 0.36 H new ATOM 0 HD12 LEU A 86 -3.391 11.053 1.729 1.00 0.36 H new ATOM 0 HD13 LEU A 86 -2.385 9.706 2.315 1.00 0.36 H new ATOM 0 HD21 LEU A 86 -0.030 10.383 0.423 1.00 0.32 H new ATOM 0 HD22 LEU A 86 -0.611 8.713 0.620 1.00 0.32 H new ATOM 0 HD23 LEU A 86 -0.551 9.448 -0.999 1.00 0.32 H new ATOM 1316 N ALA A 87 -5.758 7.087 0.408 1.00 0.21 N ATOM 1317 CA ALA A 87 -6.870 6.500 -0.261 1.00 0.23 C ATOM 1318 C ALA A 87 -7.916 7.568 -0.446 1.00 0.29 C ATOM 1319 O ALA A 87 -8.446 8.100 0.532 1.00 0.31 O ATOM 1320 CB ALA A 87 -7.428 5.358 0.565 1.00 0.24 C ATOM 0 H ALA A 87 -5.973 7.492 1.319 1.00 0.21 H new ATOM 0 HA ALA A 87 -6.564 6.101 -1.228 1.00 0.23 H new ATOM 0 HB1 ALA A 87 -8.278 4.915 0.046 1.00 0.24 H new ATOM 0 HB2 ALA A 87 -6.656 4.602 0.709 1.00 0.24 H new ATOM 0 HB3 ALA A 87 -7.752 5.735 1.535 1.00 0.24 H new ATOM 1326 N ALA A 88 -8.241 7.847 -1.672 1.00 0.36 N ATOM 1327 CA ALA A 88 -9.199 8.877 -1.987 1.00 0.45 C ATOM 1328 C ALA A 88 -10.540 8.261 -2.284 1.00 0.37 C ATOM 1329 O ALA A 88 -10.635 7.299 -3.058 1.00 0.37 O ATOM 1330 CB ALA A 88 -8.712 9.718 -3.146 1.00 0.61 C ATOM 0 H ALA A 88 -7.853 7.370 -2.486 1.00 0.36 H new ATOM 0 HA ALA A 88 -9.310 9.534 -1.125 1.00 0.45 H new ATOM 0 HB1 ALA A 88 -9.448 10.490 -3.370 1.00 0.61 H new ATOM 0 HB2 ALA A 88 -7.763 10.186 -2.883 1.00 0.61 H new ATOM 0 HB3 ALA A 88 -8.573 9.085 -4.022 1.00 0.61 H new ATOM 1336 N ASN A 89 -11.555 8.779 -1.656 1.00 0.49 N ATOM 1337 CA ASN A 89 -12.896 8.253 -1.769 1.00 0.58 C ATOM 1338 C ASN A 89 -13.860 9.388 -1.444 1.00 0.57 C ATOM 1339 O ASN A 89 -13.599 10.163 -0.541 1.00 0.55 O ATOM 1340 CB ASN A 89 -13.032 7.093 -0.741 1.00 0.86 C ATOM 1341 CG ASN A 89 -14.353 6.315 -0.768 1.00 0.59 C ATOM 1342 OD1 ASN A 89 -15.422 6.849 -1.026 1.00 0.71 O ATOM 1343 ND2 ASN A 89 -14.272 5.034 -0.502 1.00 1.18 N ATOM 0 H ASN A 89 -11.480 9.590 -1.041 1.00 0.49 H new ATOM 0 HA ASN A 89 -13.114 7.872 -2.767 1.00 0.58 H new ATOM 0 HB2 ASN A 89 -12.217 6.389 -0.909 1.00 0.86 H new ATOM 0 HB3 ASN A 89 -12.897 7.504 0.259 1.00 0.86 H new ATOM 0 HD21 ASN A 89 -15.114 4.458 -0.507 1.00 1.18 H new ATOM 0 HD22 ASN A 89 -13.367 4.613 -0.290 1.00 1.18 H new ATOM 1350 N PRO A 90 -14.951 9.545 -2.234 1.00 0.64 N ATOM 1351 CA PRO A 90 -16.015 10.557 -1.991 1.00 0.68 C ATOM 1352 C PRO A 90 -16.672 10.432 -0.600 1.00 0.56 C ATOM 1353 O PRO A 90 -17.364 11.343 -0.145 1.00 0.63 O ATOM 1354 CB PRO A 90 -17.051 10.250 -3.076 1.00 0.81 C ATOM 1355 CG PRO A 90 -16.279 9.596 -4.160 1.00 1.00 C ATOM 1356 CD PRO A 90 -15.203 8.800 -3.483 1.00 0.74 C ATOM 0 HA PRO A 90 -15.608 11.568 -2.022 1.00 0.68 H new ATOM 0 HB2 PRO A 90 -17.837 9.595 -2.699 1.00 0.81 H new ATOM 0 HB3 PRO A 90 -17.536 11.160 -3.429 1.00 0.81 H new ATOM 0 HG2 PRO A 90 -16.921 8.952 -4.761 1.00 1.00 H new ATOM 0 HG3 PRO A 90 -15.850 10.337 -4.834 1.00 1.00 H new ATOM 0 HD2 PRO A 90 -15.527 7.779 -3.282 1.00 0.74 H new ATOM 0 HD3 PRO A 90 -14.306 8.735 -4.098 1.00 0.74 H new ATOM 1364 N CYS A 91 -16.491 9.292 0.043 1.00 0.50 N ATOM 1365 CA CYS A 91 -16.977 9.084 1.401 1.00 0.50 C ATOM 1366 C CYS A 91 -16.024 9.754 2.394 1.00 0.46 C ATOM 1367 O CYS A 91 -16.402 10.110 3.511 1.00 0.61 O ATOM 1368 CB CYS A 91 -17.081 7.576 1.703 1.00 0.61 C ATOM 1369 SG CYS A 91 -17.614 7.164 3.406 1.00 1.10 S ATOM 0 H CYS A 91 -16.007 8.488 -0.356 1.00 0.50 H new ATOM 0 HA CYS A 91 -17.968 9.528 1.498 1.00 0.50 H new ATOM 0 HB2 CYS A 91 -17.783 7.127 1.000 1.00 0.61 H new ATOM 0 HB3 CYS A 91 -16.110 7.116 1.521 1.00 0.61 H new ATOM 1374 N GLY A 92 -14.807 9.954 1.961 1.00 0.46 N ATOM 1375 CA GLY A 92 -13.790 10.515 2.786 1.00 0.58 C ATOM 1376 C GLY A 92 -12.464 9.907 2.448 1.00 0.49 C ATOM 1377 O GLY A 92 -12.397 8.732 2.058 1.00 0.59 O ATOM 0 H GLY A 92 -14.499 9.727 1.015 1.00 0.46 H new ATOM 0 HA2 GLY A 92 -13.751 11.595 2.645 1.00 0.58 H new ATOM 0 HA3 GLY A 92 -14.023 10.339 3.836 1.00 0.58 H new ATOM 1381 N GLN A 93 -11.432 10.680 2.567 1.00 0.46 N ATOM 1382 CA GLN A 93 -10.110 10.233 2.259 1.00 0.42 C ATOM 1383 C GLN A 93 -9.465 9.665 3.499 1.00 0.41 C ATOM 1384 O GLN A 93 -9.566 10.240 4.585 1.00 0.56 O ATOM 1385 CB GLN A 93 -9.270 11.384 1.670 1.00 0.53 C ATOM 1386 CG GLN A 93 -7.812 11.035 1.405 1.00 0.58 C ATOM 1387 CD GLN A 93 -7.056 12.148 0.731 1.00 0.92 C ATOM 1388 OE1 GLN A 93 -6.996 12.218 -0.496 1.00 1.57 O ATOM 1389 NE2 GLN A 93 -6.491 13.027 1.509 1.00 1.33 N ATOM 0 H GLN A 93 -11.483 11.648 2.884 1.00 0.46 H new ATOM 0 HA GLN A 93 -10.164 9.448 1.505 1.00 0.42 H new ATOM 0 HB2 GLN A 93 -9.728 11.709 0.735 1.00 0.53 H new ATOM 0 HB3 GLN A 93 -9.308 12.231 2.355 1.00 0.53 H new ATOM 0 HG2 GLN A 93 -7.325 10.791 2.349 1.00 0.58 H new ATOM 0 HG3 GLN A 93 -7.765 10.142 0.782 1.00 0.58 H new ATOM 0 HE21 GLN A 93 -6.564 12.933 2.522 1.00 1.33 H new ATOM 0 HE22 GLN A 93 -5.976 13.809 1.105 1.00 1.33 H new ATOM 1398 N ALA A 94 -8.831 8.549 3.344 1.00 0.30 N ATOM 1399 CA ALA A 94 -8.143 7.898 4.420 1.00 0.33 C ATOM 1400 C ALA A 94 -6.671 7.900 4.102 1.00 0.31 C ATOM 1401 O ALA A 94 -6.294 7.919 2.931 1.00 0.30 O ATOM 1402 CB ALA A 94 -8.650 6.482 4.572 1.00 0.37 C ATOM 0 H ALA A 94 -8.773 8.053 2.454 1.00 0.30 H new ATOM 0 HA ALA A 94 -8.320 8.423 5.359 1.00 0.33 H new ATOM 0 HB1 ALA A 94 -8.123 5.993 5.391 1.00 0.37 H new ATOM 0 HB2 ALA A 94 -9.719 6.499 4.787 1.00 0.37 H new ATOM 0 HB3 ALA A 94 -8.474 5.931 3.648 1.00 0.37 H new ATOM 1408 N SER A 95 -5.845 7.896 5.111 1.00 0.36 N ATOM 1409 CA SER A 95 -4.425 7.911 4.917 1.00 0.37 C ATOM 1410 C SER A 95 -3.680 7.428 6.153 1.00 0.38 C ATOM 1411 O SER A 95 -4.157 7.578 7.288 1.00 0.57 O ATOM 1412 CB SER A 95 -3.965 9.306 4.489 1.00 0.43 C ATOM 1413 OG SER A 95 -4.519 10.314 5.321 1.00 0.50 O ATOM 0 H SER A 95 -6.138 7.882 6.088 1.00 0.36 H new ATOM 0 HA SER A 95 -4.185 7.211 4.117 1.00 0.37 H new ATOM 0 HB2 SER A 95 -2.877 9.359 4.527 1.00 0.43 H new ATOM 0 HB3 SER A 95 -4.257 9.485 3.454 1.00 0.43 H new ATOM 0 HG SER A 95 -4.205 11.193 5.023 1.00 0.50 H new ATOM 1419 N ALA A 96 -2.551 6.821 5.926 1.00 0.27 N ATOM 1420 CA ALA A 96 -1.688 6.340 6.977 1.00 0.27 C ATOM 1421 C ALA A 96 -0.262 6.516 6.506 1.00 0.23 C ATOM 1422 O ALA A 96 -0.028 6.573 5.296 1.00 0.26 O ATOM 1423 CB ALA A 96 -1.996 4.881 7.288 1.00 0.30 C ATOM 0 H ALA A 96 -2.193 6.641 4.988 1.00 0.27 H new ATOM 0 HA ALA A 96 -1.845 6.900 7.899 1.00 0.27 H new ATOM 0 HB1 ALA A 96 -1.337 4.531 8.083 1.00 0.30 H new ATOM 0 HB2 ALA A 96 -3.033 4.789 7.610 1.00 0.30 H new ATOM 0 HB3 ALA A 96 -1.838 4.277 6.394 1.00 0.30 H new ATOM 1429 N SER A 97 0.678 6.591 7.407 1.00 0.26 N ATOM 1430 CA SER A 97 2.040 6.856 7.024 1.00 0.28 C ATOM 1431 C SER A 97 2.967 5.874 7.749 1.00 0.25 C ATOM 1432 O SER A 97 2.835 5.664 8.958 1.00 0.38 O ATOM 1433 CB SER A 97 2.369 8.324 7.366 1.00 0.41 C ATOM 1434 OG SER A 97 3.570 8.776 6.754 1.00 1.26 O ATOM 0 H SER A 97 0.529 6.473 8.409 1.00 0.26 H new ATOM 0 HA SER A 97 2.183 6.715 5.953 1.00 0.28 H new ATOM 0 HB2 SER A 97 1.543 8.960 7.048 1.00 0.41 H new ATOM 0 HB3 SER A 97 2.455 8.430 8.447 1.00 0.41 H new ATOM 0 HG SER A 97 3.396 8.994 5.814 1.00 1.26 H new ATOM 1440 N ILE A 98 3.873 5.268 7.018 1.00 0.25 N ATOM 1441 CA ILE A 98 4.763 4.270 7.567 1.00 0.28 C ATOM 1442 C ILE A 98 6.175 4.492 6.990 1.00 0.28 C ATOM 1443 O ILE A 98 6.339 4.743 5.798 1.00 0.30 O ATOM 1444 CB ILE A 98 4.179 2.816 7.259 1.00 0.36 C ATOM 1445 CG1 ILE A 98 4.930 1.649 7.982 1.00 0.72 C ATOM 1446 CG2 ILE A 98 4.081 2.546 5.752 1.00 0.39 C ATOM 1447 CD1 ILE A 98 6.282 1.252 7.411 1.00 0.37 C ATOM 0 H ILE A 98 4.015 5.453 6.025 1.00 0.25 H new ATOM 0 HA ILE A 98 4.838 4.357 8.651 1.00 0.28 H new ATOM 0 HB ILE A 98 3.174 2.830 7.680 1.00 0.36 H new ATOM 0 HG12 ILE A 98 5.070 1.929 9.026 1.00 0.72 H new ATOM 0 HG13 ILE A 98 4.285 0.771 7.972 1.00 0.72 H new ATOM 0 HG21 ILE A 98 3.679 1.546 5.587 1.00 0.39 H new ATOM 0 HG22 ILE A 98 3.422 3.283 5.293 1.00 0.39 H new ATOM 0 HG23 ILE A 98 5.072 2.617 5.304 1.00 0.39 H new ATOM 0 HD11 ILE A 98 6.699 0.434 7.999 1.00 0.37 H new ATOM 0 HD12 ILE A 98 6.160 0.930 6.377 1.00 0.37 H new ATOM 0 HD13 ILE A 98 6.958 2.107 7.448 1.00 0.37 H new ATOM 1459 N MET A 99 7.173 4.477 7.837 1.00 0.34 N ATOM 1460 CA MET A 99 8.539 4.636 7.376 1.00 0.41 C ATOM 1461 C MET A 99 9.273 3.326 7.501 1.00 0.40 C ATOM 1462 O MET A 99 9.269 2.704 8.569 1.00 0.51 O ATOM 1463 CB MET A 99 9.290 5.761 8.128 1.00 0.59 C ATOM 1464 CG MET A 99 10.769 5.876 7.729 1.00 0.85 C ATOM 1465 SD MET A 99 11.633 7.292 8.453 1.00 1.25 S ATOM 1466 CE MET A 99 10.779 8.659 7.668 1.00 1.18 C ATOM 0 H MET A 99 7.072 4.357 8.845 1.00 0.34 H new ATOM 0 HA MET A 99 8.503 4.934 6.328 1.00 0.41 H new ATOM 0 HB2 MET A 99 8.794 6.712 7.935 1.00 0.59 H new ATOM 0 HB3 MET A 99 9.223 5.579 9.201 1.00 0.59 H new ATOM 0 HG2 MET A 99 11.284 4.962 8.025 1.00 0.85 H new ATOM 0 HG3 MET A 99 10.835 5.942 6.643 1.00 0.85 H new ATOM 0 HE1 MET A 99 11.340 9.580 7.830 1.00 1.18 H new ATOM 0 HE2 MET A 99 10.695 8.469 6.598 1.00 1.18 H new ATOM 0 HE3 MET A 99 9.783 8.761 8.098 1.00 1.18 H new ATOM 1476 N ALA A 100 9.848 2.881 6.426 1.00 0.42 N ATOM 1477 CA ALA A 100 10.602 1.661 6.447 1.00 0.48 C ATOM 1478 C ALA A 100 12.061 2.003 6.583 1.00 0.48 C ATOM 1479 O ALA A 100 12.644 2.635 5.696 1.00 0.57 O ATOM 1480 CB ALA A 100 10.351 0.842 5.189 1.00 0.58 C ATOM 0 H ALA A 100 9.810 3.345 5.519 1.00 0.42 H new ATOM 0 HA ALA A 100 10.287 1.052 7.294 1.00 0.48 H new ATOM 0 HB1 ALA A 100 10.935 -0.077 5.231 1.00 0.58 H new ATOM 0 HB2 ALA A 100 9.291 0.596 5.120 1.00 0.58 H new ATOM 0 HB3 ALA A 100 10.647 1.420 4.313 1.00 0.58 H new ATOM 1486 N ALA A 101 12.642 1.645 7.686 1.00 0.56 N ATOM 1487 CA ALA A 101 14.022 1.922 7.894 1.00 0.65 C ATOM 1488 C ALA A 101 14.833 0.732 7.454 1.00 0.66 C ATOM 1489 O ALA A 101 14.927 -0.277 8.157 1.00 0.77 O ATOM 1490 CB ALA A 101 14.289 2.264 9.349 1.00 0.84 C ATOM 0 H ALA A 101 12.178 1.160 8.454 1.00 0.56 H new ATOM 0 HA ALA A 101 14.313 2.789 7.301 1.00 0.65 H new ATOM 0 HB1 ALA A 101 15.350 2.472 9.485 1.00 0.84 H new ATOM 0 HB2 ALA A 101 13.708 3.143 9.629 1.00 0.84 H new ATOM 0 HB3 ALA A 101 14.001 1.423 9.979 1.00 0.84 H new ATOM 1496 N PHE A 102 15.374 0.845 6.277 1.00 0.75 N ATOM 1497 CA PHE A 102 16.226 -0.184 5.722 1.00 0.87 C ATOM 1498 C PHE A 102 17.619 -0.194 6.384 1.00 1.20 C ATOM 1499 O PHE A 102 18.087 -1.238 6.811 1.00 2.05 O ATOM 1500 CB PHE A 102 16.319 -0.041 4.187 1.00 0.97 C ATOM 1501 CG PHE A 102 17.186 -1.077 3.513 1.00 1.69 C ATOM 1502 CD1 PHE A 102 16.952 -2.426 3.697 1.00 2.20 C ATOM 1503 CD2 PHE A 102 18.226 -0.694 2.685 1.00 2.45 C ATOM 1504 CE1 PHE A 102 17.741 -3.373 3.077 1.00 3.25 C ATOM 1505 CE2 PHE A 102 19.017 -1.639 2.058 1.00 3.51 C ATOM 1506 CZ PHE A 102 18.774 -2.980 2.257 1.00 3.86 C ATOM 0 H PHE A 102 15.241 1.652 5.668 1.00 0.75 H new ATOM 0 HA PHE A 102 15.772 -1.150 5.941 1.00 0.87 H new ATOM 0 HB2 PHE A 102 15.314 -0.098 3.768 1.00 0.97 H new ATOM 0 HB3 PHE A 102 16.707 0.949 3.950 1.00 0.97 H new ATOM 0 HD1 PHE A 102 16.140 -2.744 4.335 1.00 2.20 H new ATOM 0 HD2 PHE A 102 18.422 0.356 2.526 1.00 2.45 H new ATOM 0 HE1 PHE A 102 17.548 -4.424 3.235 1.00 3.25 H new ATOM 0 HE2 PHE A 102 19.825 -1.326 1.413 1.00 3.51 H new ATOM 0 HZ PHE A 102 19.392 -3.721 1.771 1.00 3.86 H new ATOM 1516 N MET A 103 18.267 0.961 6.483 1.00 1.13 N ATOM 1517 CA MET A 103 19.590 1.046 7.047 1.00 1.42 C ATOM 1518 C MET A 103 19.763 2.436 7.598 1.00 1.77 C ATOM 1519 O MET A 103 19.083 3.366 7.154 1.00 2.31 O ATOM 1520 CB MET A 103 20.652 0.851 5.933 1.00 1.94 C ATOM 1521 CG MET A 103 20.681 1.992 4.894 1.00 2.66 C ATOM 1522 SD MET A 103 22.051 1.904 3.718 1.00 3.68 S ATOM 1523 CE MET A 103 21.699 0.368 2.887 1.00 4.72 C ATOM 0 H MET A 103 17.885 1.855 6.174 1.00 1.13 H new ATOM 0 HA MET A 103 19.713 0.283 7.815 1.00 1.42 H new ATOM 0 HB2 MET A 103 21.636 0.766 6.393 1.00 1.94 H new ATOM 0 HB3 MET A 103 20.458 -0.091 5.420 1.00 1.94 H new ATOM 0 HG2 MET A 103 19.743 1.985 4.340 1.00 2.66 H new ATOM 0 HG3 MET A 103 20.733 2.945 5.421 1.00 2.66 H new ATOM 0 HE1 MET A 103 22.532 0.108 2.234 1.00 4.72 H new ATOM 0 HE2 MET A 103 21.557 -0.421 3.626 1.00 4.72 H new ATOM 0 HE3 MET A 103 20.792 0.476 2.293 1.00 4.72 H new ATOM 1533 N ASP A 104 20.621 2.589 8.567 1.00 2.30 N ATOM 1534 CA ASP A 104 21.004 3.908 8.969 1.00 3.13 C ATOM 1535 C ASP A 104 21.978 4.399 7.920 1.00 2.91 C ATOM 1536 O ASP A 104 23.069 3.859 7.764 1.00 2.44 O ATOM 1537 CB ASP A 104 21.562 3.968 10.410 1.00 4.12 C ATOM 1538 CG ASP A 104 22.724 3.046 10.688 1.00 4.81 C ATOM 1539 OD1 ASP A 104 22.517 1.824 10.834 1.00 5.16 O ATOM 1540 OD2 ASP A 104 23.880 3.519 10.711 1.00 5.33 O ATOM 0 H ASP A 104 21.061 1.828 9.085 1.00 2.30 H new ATOM 0 HA ASP A 104 20.136 4.566 9.019 1.00 3.13 H new ATOM 0 HB2 ASP A 104 21.873 4.991 10.620 1.00 4.12 H new ATOM 0 HB3 ASP A 104 20.756 3.731 11.105 1.00 4.12 H new ATOM 1545 N ASN A 105 21.518 5.369 7.161 1.00 3.53 N ATOM 1546 CA ASN A 105 22.169 5.837 5.934 1.00 3.62 C ATOM 1547 C ASN A 105 23.618 6.284 6.139 1.00 4.15 C ATOM 1548 O ASN A 105 23.884 7.279 6.826 1.00 4.99 O ATOM 1549 CB ASN A 105 21.339 6.955 5.287 1.00 4.36 C ATOM 1550 CG ASN A 105 21.839 7.343 3.903 1.00 4.74 C ATOM 1551 OD1 ASN A 105 21.429 6.761 2.906 1.00 4.89 O ATOM 1552 ND2 ASN A 105 22.682 8.331 3.825 1.00 5.34 N ATOM 0 H ASN A 105 20.659 5.874 7.377 1.00 3.53 H new ATOM 0 HA ASN A 105 22.215 4.980 5.262 1.00 3.62 H new ATOM 0 HB2 ASN A 105 20.300 6.633 5.215 1.00 4.36 H new ATOM 0 HB3 ASN A 105 21.357 7.833 5.933 1.00 4.36 H new ATOM 0 HD21 ASN A 105 23.021 8.642 2.914 1.00 5.34 H new ATOM 0 HD22 ASN A 105 23.004 8.795 4.674 1.00 5.34 H new ATOM 1559 N PRO A 106 24.576 5.542 5.552 1.00 3.83 N ATOM 1560 CA PRO A 106 25.984 5.874 5.635 1.00 4.48 C ATOM 1561 C PRO A 106 26.378 6.990 4.672 1.00 5.07 C ATOM 1562 O PRO A 106 25.556 7.476 3.883 1.00 4.97 O ATOM 1563 CB PRO A 106 26.702 4.580 5.260 1.00 4.12 C ATOM 1564 CG PRO A 106 25.716 3.754 4.505 1.00 3.35 C ATOM 1565 CD PRO A 106 24.343 4.315 4.771 1.00 3.04 C ATOM 0 HA PRO A 106 26.243 6.241 6.628 1.00 4.48 H new ATOM 0 HB2 PRO A 106 27.582 4.787 4.651 1.00 4.12 H new ATOM 0 HB3 PRO A 106 27.047 4.055 6.151 1.00 4.12 H new ATOM 0 HG2 PRO A 106 25.937 3.776 3.438 1.00 3.35 H new ATOM 0 HG3 PRO A 106 25.770 2.712 4.820 1.00 3.35 H new ATOM 0 HD2 PRO A 106 23.819 4.533 3.840 1.00 3.04 H new ATOM 0 HD3 PRO A 106 23.728 3.606 5.325 1.00 3.04 H new ATOM 1573 N PHE A 107 27.625 7.367 4.728 1.00 5.92 N ATOM 1574 CA PHE A 107 28.155 8.439 3.917 1.00 6.71 C ATOM 1575 C PHE A 107 28.268 8.026 2.457 1.00 7.07 C ATOM 1576 O PHE A 107 29.080 7.127 2.136 1.00 7.41 O ATOM 1577 CB PHE A 107 29.492 8.919 4.477 1.00 7.09 C ATOM 1578 CG PHE A 107 29.363 9.559 5.834 1.00 7.78 C ATOM 1579 CD1 PHE A 107 28.924 10.867 5.962 1.00 8.28 C ATOM 1580 CD2 PHE A 107 29.704 8.857 6.978 1.00 8.18 C ATOM 1581 CE1 PHE A 107 28.829 11.459 7.203 1.00 9.14 C ATOM 1582 CE2 PHE A 107 29.606 9.446 8.224 1.00 9.05 C ATOM 1583 CZ PHE A 107 29.077 10.731 8.335 1.00 9.52 C ATOM 1584 OXT PHE A 107 27.543 8.594 1.614 1.00 7.30 O ATOM 0 H PHE A 107 28.314 6.936 5.344 1.00 5.92 H new ATOM 0 HA PHE A 107 27.457 9.276 3.955 1.00 6.71 H new ATOM 0 HB2 PHE A 107 30.177 8.074 4.543 1.00 7.09 H new ATOM 0 HB3 PHE A 107 29.935 9.634 3.784 1.00 7.09 H new ATOM 0 HD1 PHE A 107 28.653 11.429 5.080 1.00 8.28 H new ATOM 0 HD2 PHE A 107 30.051 7.837 6.895 1.00 8.18 H new ATOM 0 HE1 PHE A 107 28.558 12.501 7.282 1.00 9.14 H new ATOM 0 HE2 PHE A 107 29.936 8.915 9.105 1.00 9.05 H new ATOM 0 HZ PHE A 107 28.864 11.149 9.308 1.00 9.52 H new TER 1594 PHE A 107