USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 1000 hydrogens (45 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 72 HIS : no HD1:sc= -2.38 K(o=-2.4,f=-3.2!) USER MOD Set 1.2: A 123 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 60 TYR OH : rot -140:sc= 1.11 USER MOD Set 2.2: A 64 HIS : no HE2:sc= 0.952 K(o=2.1,f=-5.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= -0.641 (180deg=-0.808) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.145 X(o=-0.15,f=-0.15) USER MOD Single : A 39 THR OG1 : rot -116:sc= -0.547 USER MOD Single : A 49 ASN :FLIP amide:sc= 1.92 F(o=-0.071,f=1.9) USER MOD Single : A 54 GLN :FLIP amide:sc= -3.66! C(o=-4.8!,f=-3.7!) USER MOD Single : A 73 MET CE :methyl 152:sc= -0.197 (180deg=-0.975) USER MOD Single : A 75 ASN :FLIP amide:sc= 1.2 F(o=-0.026,f=1.2) USER MOD Single : A 92 HIS : no HE2:sc= -3.29! C(o=-3.3!,f=-6.4!) USER MOD Single : A 99 GLN : amide:sc= -0.0434 K(o=-0.043,f=-0.81) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -3.06! C(o=-3.1!,f=-3.7!) USER MOD Single : A 113 ASN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 121 THR OG1 : rot 79:sc= 0.769 USER MOD Single : A 125 TYR OH : rot 120:sc= -0.233 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 78.112 26.622 -20.492 1.00 1.00 N ATOM 2 CA MET A 1 78.596 25.245 -20.786 1.00 1.00 C ATOM 3 C MET A 1 77.390 24.309 -20.801 1.00 1.00 C ATOM 4 O MET A 1 76.355 24.608 -20.206 1.00 1.00 O ATOM 5 CB MET A 1 79.617 24.800 -19.704 1.00 1.00 C ATOM 6 CG MET A 1 80.072 26.005 -18.871 1.00 1.00 C ATOM 7 SD MET A 1 81.220 25.449 -17.587 1.00 1.00 S ATOM 8 CE MET A 1 81.302 27.005 -16.665 1.00 1.00 C ATOM 0 H1 MET A 1 78.905 27.291 -20.560 1.00 1.00 H new ATOM 0 H2 MET A 1 77.377 26.886 -21.179 1.00 1.00 H new ATOM 0 H3 MET A 1 77.715 26.653 -19.531 1.00 1.00 H new ATOM 0 HA MET A 1 79.097 25.217 -21.754 1.00 1.00 H new ATOM 0 HB2 MET A 1 79.165 24.051 -19.054 1.00 1.00 H new ATOM 0 HB3 MET A 1 80.479 24.332 -20.179 1.00 1.00 H new ATOM 0 HG2 MET A 1 80.555 26.742 -19.512 1.00 1.00 H new ATOM 0 HG3 MET A 1 79.210 26.494 -18.417 1.00 1.00 H new ATOM 0 HE1 MET A 1 81.970 26.887 -15.811 1.00 1.00 H new ATOM 0 HE2 MET A 1 81.680 27.794 -17.315 1.00 1.00 H new ATOM 0 HE3 MET A 1 80.306 27.272 -16.312 1.00 1.00 H new ATOM 18 N SER A 2 77.534 23.181 -21.474 1.00 1.00 N ATOM 19 CA SER A 2 76.471 22.190 -21.570 1.00 1.00 C ATOM 20 C SER A 2 76.340 21.408 -20.270 1.00 1.00 C ATOM 21 O SER A 2 75.659 20.386 -20.239 1.00 1.00 O ATOM 22 CB SER A 2 76.763 21.225 -22.716 1.00 1.00 C ATOM 23 OG SER A 2 76.719 21.938 -23.942 1.00 1.00 O ATOM 0 H SER A 2 78.388 22.924 -21.969 1.00 1.00 H new ATOM 0 HA SER A 2 75.533 22.712 -21.760 1.00 1.00 H new ATOM 0 HB2 SER A 2 77.743 20.767 -22.582 1.00 1.00 H new ATOM 0 HB3 SER A 2 76.031 20.417 -22.724 1.00 1.00 H new ATOM 0 HG SER A 2 76.907 21.326 -24.684 1.00 1.00 H new ATOM 29 N ASP A 3 76.987 21.929 -19.212 1.00 1.00 N ATOM 30 CA ASP A 3 76.967 21.332 -17.860 1.00 1.00 C ATOM 31 C ASP A 3 78.368 21.330 -17.261 1.00 1.00 C ATOM 32 O ASP A 3 79.323 20.879 -17.894 1.00 1.00 O ATOM 33 CB ASP A 3 76.427 19.886 -17.861 1.00 1.00 C ATOM 34 CG ASP A 3 76.644 19.232 -16.498 1.00 1.00 C ATOM 35 OD1 ASP A 3 76.892 19.954 -15.550 1.00 1.00 O ATOM 36 OD2 ASP A 3 76.558 18.017 -16.426 1.00 1.00 O ATOM 0 H ASP A 3 77.543 22.782 -19.269 1.00 1.00 H new ATOM 0 HA ASP A 3 76.296 21.946 -17.259 1.00 1.00 H new ATOM 0 HB2 ASP A 3 75.365 19.889 -18.104 1.00 1.00 H new ATOM 0 HB3 ASP A 3 76.930 19.305 -18.634 1.00 1.00 H new ATOM 41 N PHE A 4 78.464 21.745 -16.002 1.00 1.00 N ATOM 42 CA PHE A 4 79.759 21.665 -15.340 1.00 1.00 C ATOM 43 C PHE A 4 79.720 21.871 -13.831 1.00 1.00 C ATOM 44 O PHE A 4 79.825 22.993 -13.332 1.00 1.00 O ATOM 45 CB PHE A 4 80.682 22.709 -15.965 1.00 1.00 C ATOM 46 CG PHE A 4 82.073 22.567 -15.397 1.00 1.00 C ATOM 47 CD1 PHE A 4 82.860 21.465 -15.754 1.00 1.00 C ATOM 48 CD2 PHE A 4 82.576 23.534 -14.521 1.00 1.00 C ATOM 49 CE1 PHE A 4 84.152 21.330 -15.233 1.00 1.00 C ATOM 50 CE2 PHE A 4 83.869 23.399 -14.000 1.00 1.00 C ATOM 51 CZ PHE A 4 84.656 22.297 -14.355 1.00 1.00 C ATOM 0 H PHE A 4 77.700 22.123 -15.442 1.00 1.00 H new ATOM 0 HA PHE A 4 80.120 20.647 -15.488 1.00 1.00 H new ATOM 0 HB2 PHE A 4 80.707 22.584 -17.048 1.00 1.00 H new ATOM 0 HB3 PHE A 4 80.299 23.710 -15.768 1.00 1.00 H new ATOM 0 HD1 PHE A 4 82.470 20.719 -16.431 1.00 1.00 H new ATOM 0 HD2 PHE A 4 81.968 24.384 -14.247 1.00 1.00 H new ATOM 0 HE1 PHE A 4 84.760 20.481 -15.508 1.00 1.00 H new ATOM 0 HE2 PHE A 4 84.259 24.145 -13.324 1.00 1.00 H new ATOM 0 HZ PHE A 4 85.652 22.193 -13.951 1.00 1.00 H new ATOM 61 N ASP A 5 79.590 20.760 -13.125 1.00 1.00 N ATOM 62 CA ASP A 5 79.560 20.782 -11.669 1.00 1.00 C ATOM 63 C ASP A 5 80.963 21.052 -11.143 1.00 1.00 C ATOM 64 O ASP A 5 81.947 20.618 -11.744 1.00 1.00 O ATOM 65 CB ASP A 5 79.050 19.450 -11.122 1.00 1.00 C ATOM 66 CG ASP A 5 77.573 19.277 -11.457 1.00 1.00 C ATOM 67 OD1 ASP A 5 76.811 20.189 -11.179 1.00 1.00 O ATOM 68 OD2 ASP A 5 77.221 18.231 -11.975 1.00 1.00 O ATOM 0 H ASP A 5 79.503 19.830 -13.535 1.00 1.00 H new ATOM 0 HA ASP A 5 78.884 21.571 -11.340 1.00 1.00 H new ATOM 0 HB2 ASP A 5 79.626 18.629 -11.548 1.00 1.00 H new ATOM 0 HB3 ASP A 5 79.193 19.413 -10.042 1.00 1.00 H new ATOM 73 N THR A 6 81.059 21.751 -10.018 1.00 1.00 N ATOM 74 CA THR A 6 82.367 22.040 -9.448 1.00 1.00 C ATOM 75 C THR A 6 83.115 20.739 -9.209 1.00 1.00 C ATOM 76 O THR A 6 82.518 19.679 -9.192 1.00 1.00 O ATOM 77 CB THR A 6 82.222 22.821 -8.135 1.00 1.00 C ATOM 78 OG1 THR A 6 81.464 24.000 -8.367 1.00 1.00 O ATOM 79 CG2 THR A 6 83.607 23.201 -7.603 1.00 1.00 C ATOM 0 H THR A 6 80.266 22.120 -9.493 1.00 1.00 H new ATOM 0 HA THR A 6 82.932 22.655 -10.149 1.00 1.00 H new ATOM 0 HB THR A 6 81.713 22.198 -7.400 1.00 1.00 H new ATOM 0 HG1 THR A 6 81.370 24.498 -7.529 1.00 1.00 H new ATOM 0 HG21 THR A 6 83.499 23.755 -6.671 1.00 1.00 H new ATOM 0 HG22 THR A 6 84.188 22.297 -7.422 1.00 1.00 H new ATOM 0 HG23 THR A 6 84.121 23.822 -8.337 1.00 1.00 H new ATOM 87 N GLU A 7 84.422 20.826 -9.079 1.00 1.00 N ATOM 88 CA GLU A 7 85.244 19.635 -8.888 1.00 1.00 C ATOM 89 C GLU A 7 84.761 18.879 -7.652 1.00 1.00 C ATOM 90 O GLU A 7 84.388 17.724 -7.718 1.00 1.00 O ATOM 91 CB GLU A 7 86.693 20.091 -8.673 1.00 1.00 C ATOM 92 CG GLU A 7 87.658 18.917 -8.838 1.00 1.00 C ATOM 93 CD GLU A 7 89.078 19.379 -8.518 1.00 1.00 C ATOM 94 OE1 GLU A 7 89.419 19.412 -7.346 1.00 1.00 O ATOM 95 OE2 GLU A 7 89.798 19.704 -9.447 1.00 1.00 O ATOM 0 H GLU A 7 84.943 21.703 -9.101 1.00 1.00 H new ATOM 0 HA GLU A 7 85.175 18.979 -9.756 1.00 1.00 H new ATOM 0 HB2 GLU A 7 86.942 20.876 -9.387 1.00 1.00 H new ATOM 0 HB3 GLU A 7 86.801 20.520 -7.677 1.00 1.00 H new ATOM 0 HG2 GLU A 7 87.371 18.100 -8.175 1.00 1.00 H new ATOM 0 HG3 GLU A 7 87.610 18.533 -9.857 1.00 1.00 H new ATOM 102 N ARG A 8 84.820 19.549 -6.524 1.00 1.00 N ATOM 103 CA ARG A 8 84.431 18.889 -5.276 1.00 1.00 C ATOM 104 C ARG A 8 83.066 18.214 -5.498 1.00 1.00 C ATOM 105 O ARG A 8 82.892 17.034 -5.261 1.00 1.00 O ATOM 106 CB ARG A 8 84.369 19.909 -4.119 1.00 1.00 C ATOM 107 CG ARG A 8 83.146 20.822 -4.269 1.00 1.00 C ATOM 108 CD ARG A 8 83.199 21.946 -3.238 1.00 1.00 C ATOM 109 NE ARG A 8 82.025 22.801 -3.401 1.00 1.00 N ATOM 110 CZ ARG A 8 80.875 22.535 -2.781 1.00 1.00 C ATOM 111 NH1 ARG A 8 80.789 21.524 -1.959 1.00 1.00 N ATOM 112 NH2 ARG A 8 79.831 23.289 -3.000 1.00 1.00 N ATOM 0 H ARG A 8 85.122 20.519 -6.432 1.00 1.00 H new ATOM 0 HA ARG A 8 85.170 18.137 -5.000 1.00 1.00 H new ATOM 0 HB2 ARG A 8 84.322 19.383 -3.165 1.00 1.00 H new ATOM 0 HB3 ARG A 8 85.279 20.510 -4.107 1.00 1.00 H new ATOM 0 HG2 ARG A 8 83.117 21.242 -5.275 1.00 1.00 H new ATOM 0 HG3 ARG A 8 82.232 20.242 -4.139 1.00 1.00 H new ATOM 0 HD2 ARG A 8 83.225 21.531 -2.230 1.00 1.00 H new ATOM 0 HD3 ARG A 8 84.110 22.530 -3.365 1.00 1.00 H new ATOM 0 HE ARG A 8 82.087 23.621 -4.004 1.00 1.00 H new ATOM 0 HH11 ARG A 8 81.604 20.934 -1.789 1.00 1.00 H new ATOM 0 HH12 ARG A 8 79.907 21.324 -1.487 1.00 1.00 H new ATOM 0 HH21 ARG A 8 79.897 24.078 -3.643 1.00 1.00 H new ATOM 0 HH22 ARG A 8 78.949 23.089 -2.528 1.00 1.00 H new ATOM 126 N VAL A 9 82.140 18.996 -5.981 1.00 1.00 N ATOM 127 CA VAL A 9 80.793 18.481 -6.245 1.00 1.00 C ATOM 128 C VAL A 9 80.871 17.383 -7.321 1.00 1.00 C ATOM 129 O VAL A 9 80.298 16.319 -7.171 1.00 1.00 O ATOM 130 CB VAL A 9 79.835 19.599 -6.658 1.00 1.00 C ATOM 131 CG1 VAL A 9 78.426 19.026 -6.879 1.00 1.00 C ATOM 132 CG2 VAL A 9 79.781 20.650 -5.544 1.00 1.00 C ATOM 0 H VAL A 9 82.274 19.982 -6.203 1.00 1.00 H new ATOM 0 HA VAL A 9 80.394 18.051 -5.326 1.00 1.00 H new ATOM 0 HB VAL A 9 80.188 20.053 -7.584 1.00 1.00 H new ATOM 0 HG11 VAL A 9 77.749 19.828 -7.173 1.00 1.00 H new ATOM 0 HG12 VAL A 9 78.459 18.272 -7.666 1.00 1.00 H new ATOM 0 HG13 VAL A 9 78.069 18.571 -5.955 1.00 1.00 H new ATOM 0 HG21 VAL A 9 79.100 21.451 -5.832 1.00 1.00 H new ATOM 0 HG22 VAL A 9 79.428 20.186 -4.623 1.00 1.00 H new ATOM 0 HG23 VAL A 9 80.777 21.062 -5.384 1.00 1.00 H new ATOM 142 N SER A 10 81.581 17.681 -8.400 1.00 1.00 N ATOM 143 CA SER A 10 81.709 16.709 -9.503 1.00 1.00 C ATOM 144 C SER A 10 82.437 15.457 -9.014 1.00 1.00 C ATOM 145 O SER A 10 81.881 14.372 -9.052 1.00 1.00 O ATOM 146 CB SER A 10 82.488 17.312 -10.668 1.00 1.00 C ATOM 147 OG SER A 10 82.606 16.349 -11.709 1.00 1.00 O ATOM 0 H SER A 10 82.071 18.564 -8.545 1.00 1.00 H new ATOM 0 HA SER A 10 80.706 16.447 -9.841 1.00 1.00 H new ATOM 0 HB2 SER A 10 81.979 18.202 -11.038 1.00 1.00 H new ATOM 0 HB3 SER A 10 83.477 17.626 -10.334 1.00 1.00 H new ATOM 0 HG SER A 10 83.105 16.737 -12.458 1.00 1.00 H new ATOM 153 N ARG A 11 83.689 15.616 -8.590 1.00 1.00 N ATOM 154 CA ARG A 11 84.481 14.467 -8.128 1.00 1.00 C ATOM 155 C ARG A 11 83.739 13.778 -6.975 1.00 1.00 C ATOM 156 O ARG A 11 83.458 12.589 -7.025 1.00 1.00 O ATOM 157 CB ARG A 11 85.881 14.971 -7.662 1.00 1.00 C ATOM 158 CG ARG A 11 87.032 14.277 -8.422 1.00 1.00 C ATOM 159 CD ARG A 11 87.335 12.921 -7.781 1.00 1.00 C ATOM 160 NE ARG A 11 88.523 12.329 -8.391 1.00 1.00 N ATOM 161 CZ ARG A 11 89.298 11.482 -7.715 1.00 1.00 C ATOM 162 NH1 ARG A 11 89.003 11.166 -6.484 1.00 1.00 N ATOM 163 NH2 ARG A 11 90.352 10.970 -8.281 1.00 1.00 N ATOM 0 H ARG A 11 84.175 16.512 -8.555 1.00 1.00 H new ATOM 0 HA ARG A 11 84.618 13.748 -8.935 1.00 1.00 H new ATOM 0 HB2 ARG A 11 85.946 16.049 -7.812 1.00 1.00 H new ATOM 0 HB3 ARG A 11 85.993 14.791 -6.593 1.00 1.00 H new ATOM 0 HG2 ARG A 11 86.759 14.142 -9.469 1.00 1.00 H new ATOM 0 HG3 ARG A 11 87.923 14.905 -8.404 1.00 1.00 H new ATOM 0 HD2 ARG A 11 87.490 13.044 -6.709 1.00 1.00 H new ATOM 0 HD3 ARG A 11 86.482 12.253 -7.905 1.00 1.00 H new ATOM 0 HE ARG A 11 88.764 12.569 -9.353 1.00 1.00 H new ATOM 0 HH11 ARG A 11 88.178 11.568 -6.038 1.00 1.00 H new ATOM 0 HH12 ARG A 11 89.597 10.517 -5.968 1.00 1.00 H new ATOM 0 HH21 ARG A 11 90.585 11.217 -9.243 1.00 1.00 H new ATOM 0 HH22 ARG A 11 90.945 10.322 -7.763 1.00 1.00 H new ATOM 177 N ALA A 12 83.467 14.547 -5.932 1.00 1.00 N ATOM 178 CA ALA A 12 82.790 13.963 -4.755 1.00 1.00 C ATOM 179 C ALA A 12 81.606 13.169 -5.296 1.00 1.00 C ATOM 180 O ALA A 12 81.420 11.999 -4.982 1.00 1.00 O ATOM 181 CB ALA A 12 82.307 15.014 -3.755 1.00 1.00 C ATOM 0 H ALA A 12 83.689 15.540 -5.862 1.00 1.00 H new ATOM 0 HA ALA A 12 83.494 13.340 -4.203 1.00 1.00 H new ATOM 0 HB1 ALA A 12 81.819 14.520 -2.915 1.00 1.00 H new ATOM 0 HB2 ALA A 12 83.159 15.590 -3.393 1.00 1.00 H new ATOM 0 HB3 ALA A 12 81.598 15.683 -4.244 1.00 1.00 H new ATOM 187 N VAL A 13 80.859 13.802 -6.172 1.00 1.00 N ATOM 188 CA VAL A 13 79.750 13.099 -6.793 1.00 1.00 C ATOM 189 C VAL A 13 80.297 11.887 -7.560 1.00 1.00 C ATOM 190 O VAL A 13 79.807 10.803 -7.384 1.00 1.00 O ATOM 191 CB VAL A 13 78.903 14.004 -7.707 1.00 1.00 C ATOM 192 CG1 VAL A 13 77.946 13.153 -8.561 1.00 1.00 C ATOM 193 CG2 VAL A 13 78.070 14.958 -6.830 1.00 1.00 C ATOM 0 H VAL A 13 80.988 14.770 -6.466 1.00 1.00 H new ATOM 0 HA VAL A 13 79.075 12.765 -6.005 1.00 1.00 H new ATOM 0 HB VAL A 13 79.565 14.568 -8.364 1.00 1.00 H new ATOM 0 HG11 VAL A 13 77.353 13.805 -9.202 1.00 1.00 H new ATOM 0 HG12 VAL A 13 78.524 12.465 -9.178 1.00 1.00 H new ATOM 0 HG13 VAL A 13 77.283 12.586 -7.908 1.00 1.00 H new ATOM 0 HG21 VAL A 13 77.466 15.604 -7.467 1.00 1.00 H new ATOM 0 HG22 VAL A 13 77.417 14.377 -6.179 1.00 1.00 H new ATOM 0 HG23 VAL A 13 78.737 15.569 -6.222 1.00 1.00 H new ATOM 203 N ALA A 14 81.339 12.051 -8.371 1.00 1.00 N ATOM 204 CA ALA A 14 81.874 10.884 -9.091 1.00 1.00 C ATOM 205 C ALA A 14 82.361 9.832 -8.094 1.00 1.00 C ATOM 206 O ALA A 14 81.884 8.718 -8.090 1.00 1.00 O ATOM 207 CB ALA A 14 83.040 11.310 -9.982 1.00 1.00 C ATOM 0 H ALA A 14 81.816 12.935 -8.546 1.00 1.00 H new ATOM 0 HA ALA A 14 81.081 10.460 -9.707 1.00 1.00 H new ATOM 0 HB1 ALA A 14 83.430 10.441 -10.511 1.00 1.00 H new ATOM 0 HB2 ALA A 14 82.695 12.050 -10.704 1.00 1.00 H new ATOM 0 HB3 ALA A 14 83.828 11.744 -9.367 1.00 1.00 H new ATOM 213 N ALA A 15 83.347 10.197 -7.291 1.00 1.00 N ATOM 214 CA ALA A 15 83.923 9.251 -6.326 1.00 1.00 C ATOM 215 C ALA A 15 82.796 8.628 -5.496 1.00 1.00 C ATOM 216 O ALA A 15 82.655 7.414 -5.402 1.00 1.00 O ATOM 217 CB ALA A 15 84.876 9.992 -5.380 1.00 1.00 C ATOM 0 H ALA A 15 83.766 11.127 -7.281 1.00 1.00 H new ATOM 0 HA ALA A 15 84.468 8.476 -6.866 1.00 1.00 H new ATOM 0 HB1 ALA A 15 85.301 9.287 -4.666 1.00 1.00 H new ATOM 0 HB2 ALA A 15 85.678 10.451 -5.958 1.00 1.00 H new ATOM 0 HB3 ALA A 15 84.327 10.766 -4.843 1.00 1.00 H new ATOM 223 N ALA A 16 82.026 9.503 -4.895 1.00 1.00 N ATOM 224 CA ALA A 16 80.918 9.056 -4.059 1.00 1.00 C ATOM 225 C ALA A 16 79.923 8.259 -4.924 1.00 1.00 C ATOM 226 O ALA A 16 79.550 7.133 -4.600 1.00 1.00 O ATOM 227 CB ALA A 16 80.234 10.262 -3.397 1.00 1.00 C ATOM 0 H ALA A 16 82.136 10.515 -4.962 1.00 1.00 H new ATOM 0 HA ALA A 16 81.291 8.409 -3.265 1.00 1.00 H new ATOM 0 HB1 ALA A 16 79.408 9.916 -2.775 1.00 1.00 H new ATOM 0 HB2 ALA A 16 80.956 10.795 -2.778 1.00 1.00 H new ATOM 0 HB3 ALA A 16 79.852 10.932 -4.167 1.00 1.00 H new ATOM 233 N LEU A 17 79.491 8.904 -5.995 1.00 1.00 N ATOM 234 CA LEU A 17 78.489 8.265 -6.884 1.00 1.00 C ATOM 235 C LEU A 17 79.038 6.919 -7.384 1.00 1.00 C ATOM 236 O LEU A 17 78.398 5.890 -7.198 1.00 1.00 O ATOM 237 CB LEU A 17 78.059 9.136 -8.083 1.00 1.00 C ATOM 238 CG LEU A 17 76.857 8.498 -8.810 1.00 1.00 C ATOM 239 CD1 LEU A 17 76.231 9.547 -9.742 1.00 1.00 C ATOM 240 CD2 LEU A 17 77.282 7.255 -9.631 1.00 1.00 C ATOM 0 H LEU A 17 79.794 9.836 -6.278 1.00 1.00 H new ATOM 0 HA LEU A 17 77.590 8.123 -6.284 1.00 1.00 H new ATOM 0 HB2 LEU A 17 77.794 10.135 -7.738 1.00 1.00 H new ATOM 0 HB3 LEU A 17 78.893 9.249 -8.776 1.00 1.00 H new ATOM 0 HG LEU A 17 76.133 8.169 -8.065 1.00 1.00 H new ATOM 0 HD11 LEU A 17 75.379 9.109 -10.263 1.00 1.00 H new ATOM 0 HD12 LEU A 17 75.897 10.402 -9.155 1.00 1.00 H new ATOM 0 HD13 LEU A 17 76.972 9.875 -10.471 1.00 1.00 H new ATOM 0 HD21 LEU A 17 76.409 6.832 -10.129 1.00 1.00 H new ATOM 0 HD22 LEU A 17 78.020 7.547 -10.378 1.00 1.00 H new ATOM 0 HD23 LEU A 17 77.716 6.510 -8.964 1.00 1.00 H new ATOM 252 N VAL A 18 80.233 6.916 -7.983 1.00 1.00 N ATOM 253 CA VAL A 18 80.801 5.645 -8.452 1.00 1.00 C ATOM 254 C VAL A 18 81.165 4.776 -7.244 1.00 1.00 C ATOM 255 O VAL A 18 80.702 3.641 -7.128 1.00 1.00 O ATOM 256 CB VAL A 18 82.019 5.838 -9.398 1.00 1.00 C ATOM 257 CG1 VAL A 18 81.761 6.981 -10.424 1.00 1.00 C ATOM 258 CG2 VAL A 18 83.302 6.122 -8.598 1.00 1.00 C ATOM 0 H VAL A 18 80.807 7.742 -8.151 1.00 1.00 H new ATOM 0 HA VAL A 18 80.042 5.140 -9.049 1.00 1.00 H new ATOM 0 HB VAL A 18 82.154 4.907 -9.949 1.00 1.00 H new ATOM 0 HG11 VAL A 18 82.631 7.092 -11.072 1.00 1.00 H new ATOM 0 HG12 VAL A 18 80.887 6.737 -11.028 1.00 1.00 H new ATOM 0 HG13 VAL A 18 81.584 7.915 -9.891 1.00 1.00 H new ATOM 0 HG21 VAL A 18 84.138 6.253 -9.285 1.00 1.00 H new ATOM 0 HG22 VAL A 18 83.170 7.030 -8.010 1.00 1.00 H new ATOM 0 HG23 VAL A 18 83.508 5.285 -7.931 1.00 1.00 H new ATOM 268 N GLY A 19 82.000 5.307 -6.352 1.00 1.00 N ATOM 269 CA GLY A 19 82.422 4.564 -5.167 1.00 1.00 C ATOM 270 C GLY A 19 81.242 4.272 -4.245 1.00 1.00 C ATOM 271 O GLY A 19 80.091 4.473 -4.622 1.00 1.00 O ATOM 0 H GLY A 19 82.396 6.244 -6.427 1.00 1.00 H new ATOM 0 HA2 GLY A 19 82.890 3.627 -5.470 1.00 1.00 H new ATOM 0 HA3 GLY A 19 83.176 5.136 -4.626 1.00 1.00 H new ATOM 275 N PRO A 20 81.509 3.777 -3.060 1.00 1.00 N ATOM 276 CA PRO A 20 80.449 3.416 -2.071 1.00 1.00 C ATOM 277 C PRO A 20 79.833 4.614 -1.330 1.00 1.00 C ATOM 278 O PRO A 20 78.715 4.513 -0.850 1.00 1.00 O ATOM 279 CB PRO A 20 81.169 2.476 -1.069 1.00 1.00 C ATOM 280 CG PRO A 20 82.611 2.388 -1.511 1.00 1.00 C ATOM 281 CD PRO A 20 82.849 3.514 -2.518 1.00 1.00 C ATOM 0 HA PRO A 20 79.601 2.961 -2.582 1.00 1.00 H new ATOM 0 HB2 PRO A 20 81.099 2.867 -0.054 1.00 1.00 H new ATOM 0 HB3 PRO A 20 80.706 1.489 -1.063 1.00 1.00 H new ATOM 0 HG2 PRO A 20 83.281 2.488 -0.657 1.00 1.00 H new ATOM 0 HG3 PRO A 20 82.815 1.418 -1.964 1.00 1.00 H new ATOM 0 HD2 PRO A 20 83.269 4.399 -2.039 1.00 1.00 H new ATOM 0 HD3 PRO A 20 83.546 3.213 -3.300 1.00 1.00 H new ATOM 289 N GLY A 21 80.573 5.716 -1.218 1.00 1.00 N ATOM 290 CA GLY A 21 80.057 6.875 -0.464 1.00 1.00 C ATOM 291 C GLY A 21 78.746 7.390 -1.062 1.00 1.00 C ATOM 292 O GLY A 21 77.727 7.470 -0.380 1.00 1.00 O ATOM 0 H GLY A 21 81.502 5.838 -1.622 1.00 1.00 H new ATOM 0 HA2 GLY A 21 79.898 6.593 0.577 1.00 1.00 H new ATOM 0 HA3 GLY A 21 80.799 7.673 -0.468 1.00 1.00 H new ATOM 296 N GLY A 22 78.784 7.769 -2.323 1.00 1.00 N ATOM 297 CA GLY A 22 77.565 8.312 -2.941 1.00 1.00 C ATOM 298 C GLY A 22 76.500 7.255 -2.806 1.00 1.00 C ATOM 299 O GLY A 22 75.420 7.492 -2.271 1.00 1.00 O ATOM 0 H GLY A 22 79.603 7.720 -2.929 1.00 1.00 H new ATOM 0 HA2 GLY A 22 77.259 9.234 -2.447 1.00 1.00 H new ATOM 0 HA3 GLY A 22 77.738 8.554 -3.989 1.00 1.00 H new ATOM 303 N VAL A 23 76.835 6.080 -3.283 1.00 1.00 N ATOM 304 CA VAL A 23 75.917 4.964 -3.209 1.00 1.00 C ATOM 305 C VAL A 23 75.472 4.780 -1.762 1.00 1.00 C ATOM 306 O VAL A 23 74.342 4.380 -1.500 1.00 1.00 O ATOM 307 CB VAL A 23 76.565 3.693 -3.758 1.00 1.00 C ATOM 308 CG1 VAL A 23 75.559 2.539 -3.719 1.00 1.00 C ATOM 309 CG2 VAL A 23 76.988 3.944 -5.208 1.00 1.00 C ATOM 0 H VAL A 23 77.730 5.870 -3.724 1.00 1.00 H new ATOM 0 HA VAL A 23 75.041 5.171 -3.824 1.00 1.00 H new ATOM 0 HB VAL A 23 77.432 3.432 -3.152 1.00 1.00 H new ATOM 0 HG11 VAL A 23 76.026 1.636 -4.111 1.00 1.00 H new ATOM 0 HG12 VAL A 23 75.243 2.366 -2.690 1.00 1.00 H new ATOM 0 HG13 VAL A 23 74.691 2.792 -4.328 1.00 1.00 H new ATOM 0 HG21 VAL A 23 77.452 3.045 -5.612 1.00 1.00 H new ATOM 0 HG22 VAL A 23 76.112 4.199 -5.804 1.00 1.00 H new ATOM 0 HG23 VAL A 23 77.702 4.767 -5.242 1.00 1.00 H new ATOM 319 N ALA A 24 76.374 5.081 -0.825 1.00 1.00 N ATOM 320 CA ALA A 24 75.999 4.933 0.577 1.00 1.00 C ATOM 321 C ALA A 24 74.814 5.850 0.888 1.00 1.00 C ATOM 322 O ALA A 24 73.762 5.363 1.300 1.00 1.00 O ATOM 323 CB ALA A 24 77.152 5.260 1.535 1.00 1.00 C ATOM 0 H ALA A 24 77.323 5.412 -1.000 1.00 1.00 H new ATOM 0 HA ALA A 24 75.731 3.888 0.730 1.00 1.00 H new ATOM 0 HB1 ALA A 24 76.817 5.133 2.564 1.00 1.00 H new ATOM 0 HB2 ALA A 24 77.988 4.589 1.340 1.00 1.00 H new ATOM 0 HB3 ALA A 24 77.471 6.291 1.382 1.00 1.00 H new ATOM 329 N LEU A 25 74.961 7.177 0.734 1.00 1.00 N ATOM 330 CA LEU A 25 73.857 8.078 1.067 1.00 1.00 C ATOM 331 C LEU A 25 72.626 7.887 0.181 1.00 1.00 C ATOM 332 O LEU A 25 71.507 7.858 0.694 1.00 1.00 O ATOM 333 CB LEU A 25 74.310 9.549 0.974 1.00 1.00 C ATOM 334 CG LEU A 25 73.372 10.443 1.826 1.00 1.00 C ATOM 335 CD1 LEU A 25 73.898 10.526 3.266 1.00 1.00 C ATOM 336 CD2 LEU A 25 73.309 11.857 1.233 1.00 1.00 C ATOM 0 H LEU A 25 75.807 7.634 0.392 1.00 1.00 H new ATOM 0 HA LEU A 25 73.571 7.827 2.088 1.00 1.00 H new ATOM 0 HB2 LEU A 25 75.337 9.646 1.325 1.00 1.00 H new ATOM 0 HB3 LEU A 25 74.296 9.878 -0.065 1.00 1.00 H new ATOM 0 HG LEU A 25 72.374 10.004 1.824 1.00 1.00 H new ATOM 0 HD11 LEU A 25 73.235 11.155 3.860 1.00 1.00 H new ATOM 0 HD12 LEU A 25 73.933 9.526 3.699 1.00 1.00 H new ATOM 0 HD13 LEU A 25 74.900 10.956 3.263 1.00 1.00 H new ATOM 0 HD21 LEU A 25 72.648 12.476 1.839 1.00 1.00 H new ATOM 0 HD22 LEU A 25 74.308 12.293 1.225 1.00 1.00 H new ATOM 0 HD23 LEU A 25 72.926 11.807 0.214 1.00 1.00 H new ATOM 348 N VAL A 26 72.791 7.815 -1.146 1.00 1.00 N ATOM 349 CA VAL A 26 71.604 7.700 -1.987 1.00 1.00 C ATOM 350 C VAL A 26 70.829 6.432 -1.636 1.00 1.00 C ATOM 351 O VAL A 26 69.661 6.508 -1.258 1.00 1.00 O ATOM 352 CB VAL A 26 72.018 7.663 -3.464 1.00 1.00 C ATOM 353 CG1 VAL A 26 70.787 7.452 -4.345 1.00 1.00 C ATOM 354 CG2 VAL A 26 72.681 8.987 -3.849 1.00 1.00 C ATOM 0 H VAL A 26 73.686 7.833 -1.636 1.00 1.00 H new ATOM 0 HA VAL A 26 70.963 8.564 -1.813 1.00 1.00 H new ATOM 0 HB VAL A 26 72.719 6.842 -3.611 1.00 1.00 H new ATOM 0 HG11 VAL A 26 71.089 7.427 -5.392 1.00 1.00 H new ATOM 0 HG12 VAL A 26 70.309 6.508 -4.082 1.00 1.00 H new ATOM 0 HG13 VAL A 26 70.084 8.270 -4.190 1.00 1.00 H new ATOM 0 HG21 VAL A 26 72.973 8.956 -4.899 1.00 1.00 H new ATOM 0 HG22 VAL A 26 71.978 9.805 -3.692 1.00 1.00 H new ATOM 0 HG23 VAL A 26 73.565 9.145 -3.231 1.00 1.00 H new ATOM 364 N VAL A 27 71.456 5.267 -1.786 1.00 1.00 N ATOM 365 CA VAL A 27 70.775 4.003 -1.510 1.00 1.00 C ATOM 366 C VAL A 27 70.193 3.968 -0.094 1.00 1.00 C ATOM 367 O VAL A 27 69.139 3.378 0.141 1.00 1.00 O ATOM 368 CB VAL A 27 71.754 2.823 -1.724 1.00 1.00 C ATOM 369 CG1 VAL A 27 72.590 2.564 -0.455 1.00 1.00 C ATOM 370 CG2 VAL A 27 70.968 1.555 -2.077 1.00 1.00 C ATOM 0 H VAL A 27 72.424 5.171 -2.094 1.00 1.00 H new ATOM 0 HA VAL A 27 69.940 3.911 -2.205 1.00 1.00 H new ATOM 0 HB VAL A 27 72.427 3.083 -2.541 1.00 1.00 H new ATOM 0 HG11 VAL A 27 73.270 1.730 -0.631 1.00 1.00 H new ATOM 0 HG12 VAL A 27 73.166 3.456 -0.210 1.00 1.00 H new ATOM 0 HG13 VAL A 27 71.926 2.322 0.375 1.00 1.00 H new ATOM 0 HG21 VAL A 27 71.661 0.727 -2.227 1.00 1.00 H new ATOM 0 HG22 VAL A 27 70.284 1.313 -1.264 1.00 1.00 H new ATOM 0 HG23 VAL A 27 70.399 1.722 -2.992 1.00 1.00 H new ATOM 380 N LYS A 28 70.898 4.585 0.843 1.00 1.00 N ATOM 381 CA LYS A 28 70.439 4.590 2.228 1.00 1.00 C ATOM 382 C LYS A 28 69.169 5.413 2.336 1.00 1.00 C ATOM 383 O LYS A 28 68.150 4.959 2.859 1.00 1.00 O ATOM 384 CB LYS A 28 71.543 5.170 3.124 1.00 1.00 C ATOM 385 CG LYS A 28 71.093 5.186 4.592 1.00 1.00 C ATOM 386 CD LYS A 28 72.279 5.607 5.515 1.00 1.00 C ATOM 387 CE LYS A 28 71.886 6.795 6.404 1.00 1.00 C ATOM 388 NZ LYS A 28 71.894 8.047 5.592 1.00 1.00 N ATOM 0 H LYS A 28 71.774 5.080 0.677 1.00 1.00 H new ATOM 0 HA LYS A 28 70.221 3.573 2.555 1.00 1.00 H new ATOM 0 HB2 LYS A 28 72.451 4.576 3.023 1.00 1.00 H new ATOM 0 HB3 LYS A 28 71.787 6.182 2.801 1.00 1.00 H new ATOM 0 HG2 LYS A 28 70.261 5.879 4.717 1.00 1.00 H new ATOM 0 HG3 LYS A 28 70.731 4.199 4.880 1.00 1.00 H new ATOM 0 HD2 LYS A 28 72.577 4.764 6.138 1.00 1.00 H new ATOM 0 HD3 LYS A 28 73.142 5.874 4.906 1.00 1.00 H new ATOM 0 HE2 LYS A 28 70.896 6.632 6.831 1.00 1.00 H new ATOM 0 HE3 LYS A 28 72.582 6.885 7.238 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 71.628 8.853 6.193 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 72.847 8.204 5.205 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 71.213 7.958 4.811 1.00 1.00 H new ATOM 402 N VAL A 29 69.264 6.635 1.858 1.00 1.00 N ATOM 403 CA VAL A 29 68.130 7.551 1.924 1.00 1.00 C ATOM 404 C VAL A 29 66.937 7.014 1.132 1.00 1.00 C ATOM 405 O VAL A 29 65.822 6.987 1.655 1.00 1.00 O ATOM 406 CB VAL A 29 68.536 8.948 1.428 1.00 1.00 C ATOM 407 CG1 VAL A 29 67.287 9.818 1.208 1.00 1.00 C ATOM 408 CG2 VAL A 29 69.428 9.608 2.487 1.00 1.00 C ATOM 0 H VAL A 29 70.102 7.021 1.423 1.00 1.00 H new ATOM 0 HA VAL A 29 67.823 7.633 2.967 1.00 1.00 H new ATOM 0 HB VAL A 29 69.073 8.854 0.484 1.00 1.00 H new ATOM 0 HG11 VAL A 29 67.588 10.805 0.857 1.00 1.00 H new ATOM 0 HG12 VAL A 29 66.643 9.349 0.464 1.00 1.00 H new ATOM 0 HG13 VAL A 29 66.743 9.918 2.147 1.00 1.00 H new ATOM 0 HG21 VAL A 29 69.723 10.601 2.147 1.00 1.00 H new ATOM 0 HG22 VAL A 29 68.878 9.694 3.424 1.00 1.00 H new ATOM 0 HG23 VAL A 29 70.318 8.999 2.644 1.00 1.00 H new ATOM 418 N CYS A 30 67.140 6.597 -0.115 1.00 1.00 N ATOM 419 CA CYS A 30 65.999 6.100 -0.879 1.00 1.00 C ATOM 420 C CYS A 30 65.456 4.819 -0.233 1.00 1.00 C ATOM 421 O CYS A 30 64.286 4.760 0.138 1.00 1.00 O ATOM 422 CB CYS A 30 66.426 5.818 -2.344 1.00 1.00 C ATOM 423 SG CYS A 30 65.808 7.123 -3.445 1.00 1.00 S ATOM 0 H CYS A 30 68.037 6.591 -0.600 1.00 1.00 H new ATOM 0 HA CYS A 30 65.214 6.856 -0.879 1.00 1.00 H new ATOM 0 HB2 CYS A 30 67.513 5.763 -2.409 1.00 1.00 H new ATOM 0 HB3 CYS A 30 66.038 4.850 -2.663 1.00 1.00 H new ATOM 428 N ALA A 31 66.282 3.783 -0.161 1.00 1.00 N ATOM 429 CA ALA A 31 65.847 2.495 0.369 1.00 1.00 C ATOM 430 C ALA A 31 65.389 2.585 1.810 1.00 1.00 C ATOM 431 O ALA A 31 64.309 2.101 2.151 1.00 1.00 O ATOM 432 CB ALA A 31 66.992 1.475 0.262 1.00 1.00 C ATOM 0 H ALA A 31 67.256 3.808 -0.462 1.00 1.00 H new ATOM 0 HA ALA A 31 64.994 2.174 -0.228 1.00 1.00 H new ATOM 0 HB1 ALA A 31 66.662 0.515 0.659 1.00 1.00 H new ATOM 0 HB2 ALA A 31 67.277 1.357 -0.783 1.00 1.00 H new ATOM 0 HB3 ALA A 31 67.849 1.829 0.834 1.00 1.00 H new ATOM 438 N GLY A 32 66.215 3.165 2.670 1.00 1.00 N ATOM 439 CA GLY A 32 65.866 3.252 4.076 1.00 1.00 C ATOM 440 C GLY A 32 66.201 1.928 4.749 1.00 1.00 C ATOM 441 O GLY A 32 65.315 1.111 4.994 1.00 1.00 O ATOM 0 H GLY A 32 67.116 3.575 2.422 1.00 1.00 H new ATOM 0 HA2 GLY A 32 66.414 4.066 4.551 1.00 1.00 H new ATOM 0 HA3 GLY A 32 64.805 3.474 4.188 1.00 1.00 H new ATOM 445 N LEU A 33 67.496 1.719 5.018 1.00 1.00 N ATOM 446 CA LEU A 33 67.965 0.480 5.643 1.00 1.00 C ATOM 447 C LEU A 33 68.181 -0.595 4.558 1.00 1.00 C ATOM 448 O LEU A 33 67.287 -1.385 4.281 1.00 1.00 O ATOM 449 CB LEU A 33 66.937 0.003 6.693 1.00 1.00 C ATOM 450 CG LEU A 33 67.637 -0.740 7.833 1.00 1.00 C ATOM 451 CD1 LEU A 33 66.588 -1.225 8.834 1.00 1.00 C ATOM 452 CD2 LEU A 33 68.403 -1.941 7.273 1.00 1.00 C ATOM 0 H LEU A 33 68.235 2.392 4.812 1.00 1.00 H new ATOM 0 HA LEU A 33 68.914 0.659 6.148 1.00 1.00 H new ATOM 0 HB2 LEU A 33 66.391 0.859 7.090 1.00 1.00 H new ATOM 0 HB3 LEU A 33 66.204 -0.651 6.221 1.00 1.00 H new ATOM 0 HG LEU A 33 68.337 -0.069 8.330 1.00 1.00 H new ATOM 0 HD11 LEU A 33 67.081 -1.755 9.649 1.00 1.00 H new ATOM 0 HD12 LEU A 33 66.044 -0.369 9.234 1.00 1.00 H new ATOM 0 HD13 LEU A 33 65.890 -1.896 8.333 1.00 1.00 H new ATOM 0 HD21 LEU A 33 68.900 -2.468 8.088 1.00 1.00 H new ATOM 0 HD22 LEU A 33 67.707 -2.617 6.776 1.00 1.00 H new ATOM 0 HD23 LEU A 33 69.148 -1.595 6.556 1.00 1.00 H new ATOM 464 N PRO A 34 69.339 -0.610 3.933 1.00 1.00 N ATOM 465 CA PRO A 34 69.679 -1.582 2.828 1.00 1.00 C ATOM 466 C PRO A 34 69.444 -3.056 3.181 1.00 1.00 C ATOM 467 O PRO A 34 69.123 -3.862 2.309 1.00 1.00 O ATOM 468 CB PRO A 34 71.180 -1.330 2.590 1.00 1.00 C ATOM 469 CG PRO A 34 71.400 0.082 3.013 1.00 1.00 C ATOM 470 CD PRO A 34 70.461 0.311 4.193 1.00 1.00 C ATOM 0 HA PRO A 34 69.039 -1.417 1.961 1.00 1.00 H new ATOM 0 HB2 PRO A 34 71.794 -2.018 3.172 1.00 1.00 H new ATOM 0 HB3 PRO A 34 71.444 -1.475 1.543 1.00 1.00 H new ATOM 0 HG2 PRO A 34 72.438 0.247 3.301 1.00 1.00 H new ATOM 0 HG3 PRO A 34 71.181 0.773 2.199 1.00 1.00 H new ATOM 0 HD2 PRO A 34 70.949 0.089 5.142 1.00 1.00 H new ATOM 0 HD3 PRO A 34 70.125 1.347 4.242 1.00 1.00 H new ATOM 478 N GLY A 35 69.641 -3.407 4.442 1.00 1.00 N ATOM 479 CA GLY A 35 69.472 -4.806 4.821 1.00 1.00 C ATOM 480 C GLY A 35 68.050 -5.262 4.500 1.00 1.00 C ATOM 481 O GLY A 35 67.849 -6.192 3.717 1.00 1.00 O ATOM 0 H GLY A 35 69.908 -2.774 5.196 1.00 1.00 H new ATOM 0 HA2 GLY A 35 70.192 -5.426 4.287 1.00 1.00 H new ATOM 0 HA3 GLY A 35 69.672 -4.930 5.885 1.00 1.00 H new ATOM 485 N VAL A 36 67.067 -4.591 5.085 1.00 1.00 N ATOM 486 CA VAL A 36 65.661 -4.914 4.834 1.00 1.00 C ATOM 487 C VAL A 36 65.183 -3.994 3.721 1.00 1.00 C ATOM 488 O VAL A 36 65.840 -2.993 3.485 1.00 1.00 O ATOM 489 CB VAL A 36 64.845 -4.746 6.143 1.00 1.00 C ATOM 490 CG1 VAL A 36 64.263 -3.332 6.264 1.00 1.00 C ATOM 491 CG2 VAL A 36 63.703 -5.770 6.189 1.00 1.00 C ATOM 0 H VAL A 36 67.213 -3.820 5.737 1.00 1.00 H new ATOM 0 HA VAL A 36 65.528 -5.949 4.520 1.00 1.00 H new ATOM 0 HB VAL A 36 65.525 -4.912 6.979 1.00 1.00 H new ATOM 0 HG11 VAL A 36 63.698 -3.249 7.192 1.00 1.00 H new ATOM 0 HG12 VAL A 36 65.074 -2.604 6.267 1.00 1.00 H new ATOM 0 HG13 VAL A 36 63.603 -3.137 5.419 1.00 1.00 H new ATOM 0 HG21 VAL A 36 63.137 -5.643 7.112 1.00 1.00 H new ATOM 0 HG22 VAL A 36 63.043 -5.618 5.335 1.00 1.00 H new ATOM 0 HG23 VAL A 36 64.116 -6.778 6.153 1.00 1.00 H new ATOM 501 N ILE A 37 64.073 -4.349 3.041 1.00 1.00 N ATOM 502 CA ILE A 37 63.506 -3.561 1.918 1.00 1.00 C ATOM 503 C ILE A 37 63.380 -4.460 0.692 1.00 1.00 C ATOM 504 O ILE A 37 64.382 -4.855 0.098 1.00 1.00 O ATOM 505 CB ILE A 37 64.353 -2.321 1.530 1.00 1.00 C ATOM 506 CG1 ILE A 37 63.589 -1.453 0.500 1.00 1.00 C ATOM 507 CG2 ILE A 37 65.703 -2.759 0.907 1.00 1.00 C ATOM 508 CD1 ILE A 37 62.512 -0.607 1.193 1.00 1.00 C ATOM 0 H ILE A 37 63.540 -5.193 3.253 1.00 1.00 H new ATOM 0 HA ILE A 37 62.538 -3.194 2.258 1.00 1.00 H new ATOM 0 HB ILE A 37 64.540 -1.743 2.435 1.00 1.00 H new ATOM 0 HG12 ILE A 37 64.289 -0.801 -0.024 1.00 1.00 H new ATOM 0 HG13 ILE A 37 63.127 -2.094 -0.251 1.00 1.00 H new ATOM 0 HG21 ILE A 37 66.284 -1.876 0.641 1.00 1.00 H new ATOM 0 HG22 ILE A 37 66.260 -3.356 1.629 1.00 1.00 H new ATOM 0 HG23 ILE A 37 65.515 -3.353 0.013 1.00 1.00 H new ATOM 0 HD11 ILE A 37 61.988 -0.005 0.450 1.00 1.00 H new ATOM 0 HD12 ILE A 37 61.801 -1.263 1.695 1.00 1.00 H new ATOM 0 HD13 ILE A 37 62.981 0.049 1.926 1.00 1.00 H new ATOM 520 N HIS A 38 62.150 -4.772 0.297 1.00 1.00 N ATOM 521 CA HIS A 38 61.912 -5.606 -0.879 1.00 1.00 C ATOM 522 C HIS A 38 60.745 -5.007 -1.654 1.00 1.00 C ATOM 523 O HIS A 38 59.710 -4.692 -1.067 1.00 1.00 O ATOM 524 CB HIS A 38 61.573 -7.037 -0.445 1.00 1.00 C ATOM 525 CG HIS A 38 62.713 -7.610 0.356 1.00 1.00 C ATOM 526 ND1 HIS A 38 62.653 -7.753 1.734 1.00 1.00 N ATOM 527 CD2 HIS A 38 63.948 -8.081 -0.015 1.00 1.00 C ATOM 528 CE1 HIS A 38 63.819 -8.291 2.139 1.00 1.00 C ATOM 529 NE2 HIS A 38 64.645 -8.512 1.111 1.00 1.00 N ATOM 0 H HIS A 38 61.303 -4.461 0.772 1.00 1.00 H new ATOM 0 HA HIS A 38 62.803 -5.639 -1.505 1.00 1.00 H new ATOM 0 HB2 HIS A 38 60.660 -7.040 0.151 1.00 1.00 H new ATOM 0 HB3 HIS A 38 61.384 -7.657 -1.321 1.00 1.00 H new ATOM 0 HD2 HIS A 38 64.323 -8.113 -1.027 1.00 1.00 H new ATOM 0 HE1 HIS A 38 64.058 -8.516 3.168 1.00 1.00 H new ATOM 0 HE2 HIS A 38 65.583 -8.910 1.144 1.00 1.00 H new ATOM 537 N THR A 39 60.909 -4.825 -2.965 1.00 1.00 N ATOM 538 CA THR A 39 59.843 -4.234 -3.782 1.00 1.00 C ATOM 539 C THR A 39 58.948 -5.330 -4.363 1.00 1.00 C ATOM 540 O THR A 39 59.411 -6.455 -4.543 1.00 1.00 O ATOM 541 CB THR A 39 60.447 -3.417 -4.927 1.00 1.00 C ATOM 542 OG1 THR A 39 59.404 -2.764 -5.642 1.00 1.00 O ATOM 543 CG2 THR A 39 61.210 -4.349 -5.869 1.00 1.00 C ATOM 0 H THR A 39 61.754 -5.073 -3.479 1.00 1.00 H new ATOM 0 HA THR A 39 59.246 -3.581 -3.145 1.00 1.00 H new ATOM 0 HB THR A 39 61.132 -2.671 -4.523 1.00 1.00 H new ATOM 0 HG1 THR A 39 59.371 -3.108 -6.559 1.00 1.00 H new ATOM 0 HG21 THR A 39 61.641 -3.769 -6.685 1.00 1.00 H new ATOM 0 HG22 THR A 39 62.007 -4.849 -5.319 1.00 1.00 H new ATOM 0 HG23 THR A 39 60.527 -5.095 -6.275 1.00 1.00 H new ATOM 551 N PRO A 40 57.686 -5.066 -4.661 1.00 1.00 N ATOM 552 CA PRO A 40 56.794 -6.110 -5.221 1.00 1.00 C ATOM 553 C PRO A 40 56.894 -6.222 -6.752 1.00 1.00 C ATOM 554 O PRO A 40 56.872 -7.321 -7.307 1.00 1.00 O ATOM 555 CB PRO A 40 55.372 -5.651 -4.791 1.00 1.00 C ATOM 556 CG PRO A 40 55.526 -4.265 -4.198 1.00 1.00 C ATOM 557 CD PRO A 40 56.948 -3.795 -4.518 1.00 1.00 C ATOM 0 HA PRO A 40 57.060 -7.102 -4.856 1.00 1.00 H new ATOM 0 HB2 PRO A 40 54.695 -5.634 -5.645 1.00 1.00 H new ATOM 0 HB3 PRO A 40 54.947 -6.340 -4.061 1.00 1.00 H new ATOM 0 HG2 PRO A 40 54.790 -3.581 -4.620 1.00 1.00 H new ATOM 0 HG3 PRO A 40 55.360 -4.286 -3.121 1.00 1.00 H new ATOM 0 HD2 PRO A 40 56.982 -3.202 -5.432 1.00 1.00 H new ATOM 0 HD3 PRO A 40 57.359 -3.176 -3.721 1.00 1.00 H new ATOM 565 N ALA A 41 57.020 -5.075 -7.419 1.00 1.00 N ATOM 566 CA ALA A 41 57.141 -5.015 -8.883 1.00 1.00 C ATOM 567 C ALA A 41 58.390 -4.239 -9.268 1.00 1.00 C ATOM 568 O ALA A 41 58.569 -3.114 -8.805 1.00 1.00 O ATOM 569 CB ALA A 41 55.910 -4.334 -9.480 1.00 1.00 C ATOM 0 H ALA A 41 57.041 -4.162 -6.965 1.00 1.00 H new ATOM 0 HA ALA A 41 57.214 -6.030 -9.273 1.00 1.00 H new ATOM 0 HB1 ALA A 41 56.007 -4.293 -10.565 1.00 1.00 H new ATOM 0 HB2 ALA A 41 55.017 -4.901 -9.217 1.00 1.00 H new ATOM 0 HB3 ALA A 41 55.827 -3.322 -9.085 1.00 1.00 H new ATOM 575 N ARG A 42 59.222 -4.782 -10.141 1.00 1.00 N ATOM 576 CA ARG A 42 60.407 -4.072 -10.600 1.00 1.00 C ATOM 577 C ARG A 42 61.069 -4.942 -11.655 1.00 1.00 C ATOM 578 O ARG A 42 60.680 -6.102 -11.799 1.00 1.00 O ATOM 579 CB ARG A 42 61.360 -3.797 -9.434 1.00 1.00 C ATOM 580 CG ARG A 42 62.663 -3.205 -9.968 1.00 1.00 C ATOM 581 CD ARG A 42 63.513 -2.712 -8.809 1.00 1.00 C ATOM 582 NE ARG A 42 63.863 -3.823 -7.944 1.00 1.00 N ATOM 583 CZ ARG A 42 64.767 -3.672 -6.999 1.00 1.00 C ATOM 584 NH1 ARG A 42 65.389 -2.531 -6.891 1.00 1.00 N ATOM 585 NH2 ARG A 42 65.047 -4.661 -6.194 1.00 1.00 N ATOM 0 H ARG A 42 59.100 -5.710 -10.546 1.00 1.00 H new ATOM 0 HA ARG A 42 60.138 -3.103 -11.021 1.00 1.00 H new ATOM 0 HB2 ARG A 42 60.898 -3.107 -8.728 1.00 1.00 H new ATOM 0 HB3 ARG A 42 61.563 -4.720 -8.891 1.00 1.00 H new ATOM 0 HG2 ARG A 42 63.209 -3.957 -10.538 1.00 1.00 H new ATOM 0 HG3 ARG A 42 62.448 -2.382 -10.650 1.00 1.00 H new ATOM 0 HD2 ARG A 42 64.418 -2.236 -9.187 1.00 1.00 H new ATOM 0 HD3 ARG A 42 62.968 -1.957 -8.243 1.00 1.00 H new ATOM 0 HE ARG A 42 63.406 -4.726 -8.069 1.00 1.00 H new ATOM 0 HH11 ARG A 42 65.173 -1.769 -7.534 1.00 1.00 H new ATOM 0 HH12 ARG A 42 66.092 -2.400 -6.163 1.00 1.00 H new ATOM 0 HH21 ARG A 42 64.565 -5.554 -6.296 1.00 1.00 H new ATOM 0 HH22 ARG A 42 65.748 -4.541 -5.463 1.00 1.00 H new ATOM 599 N ARG A 43 62.054 -4.448 -12.409 1.00 1.00 N ATOM 600 CA ARG A 43 62.676 -5.281 -13.419 1.00 1.00 C ATOM 601 C ARG A 43 63.128 -6.589 -12.779 1.00 1.00 C ATOM 602 O ARG A 43 63.050 -7.639 -13.415 1.00 1.00 O ATOM 603 CB ARG A 43 63.857 -4.470 -14.030 1.00 1.00 C ATOM 604 CG ARG A 43 65.128 -5.318 -14.281 1.00 1.00 C ATOM 605 CD ARG A 43 64.904 -6.323 -15.427 1.00 1.00 C ATOM 606 NE ARG A 43 65.699 -5.918 -16.580 1.00 1.00 N ATOM 607 CZ ARG A 43 66.127 -6.802 -17.472 1.00 1.00 C ATOM 608 NH1 ARG A 43 65.813 -8.061 -17.339 1.00 1.00 N ATOM 609 NH2 ARG A 43 66.861 -6.410 -18.478 1.00 1.00 N ATOM 0 H ARG A 43 62.424 -3.500 -12.337 1.00 1.00 H new ATOM 0 HA ARG A 43 61.984 -5.544 -14.220 1.00 1.00 H new ATOM 0 HB2 ARG A 43 63.534 -4.028 -14.972 1.00 1.00 H new ATOM 0 HB3 ARG A 43 64.106 -3.647 -13.360 1.00 1.00 H new ATOM 0 HG2 ARG A 43 65.964 -4.663 -14.525 1.00 1.00 H new ATOM 0 HG3 ARG A 43 65.398 -5.853 -13.371 1.00 1.00 H new ATOM 0 HD2 ARG A 43 65.188 -7.326 -15.108 1.00 1.00 H new ATOM 0 HD3 ARG A 43 63.848 -6.360 -15.693 1.00 1.00 H new ATOM 0 HE ARG A 43 65.931 -4.933 -16.704 1.00 1.00 H new ATOM 0 HH11 ARG A 43 65.240 -8.363 -16.551 1.00 1.00 H new ATOM 0 HH12 ARG A 43 66.140 -8.743 -18.023 1.00 1.00 H new ATOM 0 HH21 ARG A 43 67.105 -5.425 -18.578 1.00 1.00 H new ATOM 0 HH22 ARG A 43 67.190 -7.089 -19.164 1.00 1.00 H new ATOM 623 N GLY A 44 63.621 -6.541 -11.534 1.00 1.00 N ATOM 624 CA GLY A 44 64.095 -7.749 -10.855 1.00 1.00 C ATOM 625 C GLY A 44 65.530 -7.578 -10.370 1.00 1.00 C ATOM 626 O GLY A 44 65.974 -8.313 -9.491 1.00 1.00 O ATOM 0 H GLY A 44 63.701 -5.686 -10.983 1.00 1.00 H new ATOM 0 HA2 GLY A 44 63.446 -7.973 -10.008 1.00 1.00 H new ATOM 0 HA3 GLY A 44 64.036 -8.599 -11.535 1.00 1.00 H new ATOM 630 N PHE A 45 66.266 -6.621 -10.932 1.00 1.00 N ATOM 631 CA PHE A 45 67.647 -6.395 -10.515 1.00 1.00 C ATOM 632 C PHE A 45 67.988 -4.906 -10.696 1.00 1.00 C ATOM 633 O PHE A 45 67.446 -4.261 -11.588 1.00 1.00 O ATOM 634 CB PHE A 45 68.559 -7.268 -11.371 1.00 1.00 C ATOM 635 CG PHE A 45 69.868 -7.584 -10.665 1.00 1.00 C ATOM 636 CD1 PHE A 45 70.855 -6.602 -10.546 1.00 1.00 C ATOM 637 CD2 PHE A 45 70.102 -8.876 -10.167 1.00 1.00 C ATOM 638 CE1 PHE A 45 72.075 -6.906 -9.932 1.00 1.00 C ATOM 639 CE2 PHE A 45 71.322 -9.175 -9.547 1.00 1.00 C ATOM 640 CZ PHE A 45 72.309 -8.189 -9.432 1.00 1.00 C ATOM 0 H PHE A 45 65.934 -5.997 -11.668 1.00 1.00 H new ATOM 0 HA PHE A 45 67.784 -6.657 -9.466 1.00 1.00 H new ATOM 0 HB2 PHE A 45 68.046 -8.198 -11.617 1.00 1.00 H new ATOM 0 HB3 PHE A 45 68.768 -6.761 -12.313 1.00 1.00 H new ATOM 0 HD1 PHE A 45 70.676 -5.608 -10.928 1.00 1.00 H new ATOM 0 HD2 PHE A 45 69.343 -9.638 -10.262 1.00 1.00 H new ATOM 0 HE1 PHE A 45 72.838 -6.147 -9.844 1.00 1.00 H new ATOM 0 HE2 PHE A 45 71.501 -10.166 -9.158 1.00 1.00 H new ATOM 0 HZ PHE A 45 73.251 -8.420 -8.957 1.00 1.00 H new ATOM 650 N PHE A 46 68.892 -4.401 -9.848 1.00 1.00 N ATOM 651 CA PHE A 46 69.351 -2.990 -9.848 1.00 1.00 C ATOM 652 C PHE A 46 69.299 -2.493 -8.404 1.00 1.00 C ATOM 653 O PHE A 46 68.320 -1.859 -8.037 1.00 1.00 O ATOM 654 CB PHE A 46 68.470 -2.040 -10.707 1.00 1.00 C ATOM 655 CG PHE A 46 68.899 -2.003 -12.171 1.00 1.00 C ATOM 656 CD1 PHE A 46 69.568 -3.079 -12.780 1.00 1.00 C ATOM 657 CD2 PHE A 46 68.607 -0.859 -12.923 1.00 1.00 C ATOM 658 CE1 PHE A 46 69.939 -3.001 -14.130 1.00 1.00 C ATOM 659 CE2 PHE A 46 68.978 -0.784 -14.270 1.00 1.00 C ATOM 660 CZ PHE A 46 69.643 -1.854 -14.875 1.00 1.00 C ATOM 0 H PHE A 46 69.339 -4.965 -9.125 1.00 1.00 H new ATOM 0 HA PHE A 46 70.352 -2.974 -10.280 1.00 1.00 H new ATOM 0 HB2 PHE A 46 67.430 -2.361 -10.645 1.00 1.00 H new ATOM 0 HB3 PHE A 46 68.518 -1.033 -10.293 1.00 1.00 H new ATOM 0 HD1 PHE A 46 69.796 -3.966 -12.208 1.00 1.00 H new ATOM 0 HD2 PHE A 46 68.092 -0.030 -12.461 1.00 1.00 H new ATOM 0 HE1 PHE A 46 70.454 -3.828 -14.596 1.00 1.00 H new ATOM 0 HE2 PHE A 46 68.750 0.102 -14.843 1.00 1.00 H new ATOM 0 HZ PHE A 46 69.928 -1.796 -15.915 1.00 1.00 H new ATOM 670 N ARG A 47 70.379 -2.734 -7.640 1.00 1.00 N ATOM 671 CA ARG A 47 70.519 -2.291 -6.230 1.00 1.00 C ATOM 672 C ARG A 47 71.020 -3.429 -5.349 1.00 1.00 C ATOM 673 O ARG A 47 70.641 -4.584 -5.543 1.00 1.00 O ATOM 674 CB ARG A 47 69.210 -1.751 -5.593 1.00 1.00 C ATOM 675 CG ARG A 47 68.131 -2.858 -5.431 1.00 1.00 C ATOM 676 CD ARG A 47 67.067 -2.380 -4.438 1.00 1.00 C ATOM 677 NE ARG A 47 66.669 -1.003 -4.750 1.00 1.00 N ATOM 678 CZ ARG A 47 66.522 -0.077 -3.796 1.00 1.00 C ATOM 679 NH1 ARG A 47 66.636 -0.396 -2.534 1.00 1.00 N ATOM 680 NH2 ARG A 47 66.239 1.155 -4.124 1.00 1.00 N ATOM 0 H ARG A 47 71.191 -3.247 -7.982 1.00 1.00 H new ATOM 0 HA ARG A 47 71.235 -1.470 -6.275 1.00 1.00 H new ATOM 0 HB2 ARG A 47 69.434 -1.320 -4.617 1.00 1.00 H new ATOM 0 HB3 ARG A 47 68.812 -0.947 -6.212 1.00 1.00 H new ATOM 0 HG2 ARG A 47 67.673 -3.080 -6.395 1.00 1.00 H new ATOM 0 HG3 ARG A 47 68.590 -3.781 -5.076 1.00 1.00 H new ATOM 0 HD2 ARG A 47 66.198 -3.036 -4.480 1.00 1.00 H new ATOM 0 HD3 ARG A 47 67.457 -2.433 -3.422 1.00 1.00 H new ATOM 0 HE ARG A 47 66.500 -0.744 -5.722 1.00 1.00 H new ATOM 0 HH11 ARG A 47 66.839 -1.359 -2.268 1.00 1.00 H new ATOM 0 HH12 ARG A 47 66.522 0.318 -1.815 1.00 1.00 H new ATOM 0 HH21 ARG A 47 66.131 1.409 -5.106 1.00 1.00 H new ATOM 0 HH22 ARG A 47 66.126 1.863 -3.398 1.00 1.00 H new ATOM 694 N CYS A 48 71.887 -3.106 -4.390 1.00 1.00 N ATOM 695 CA CYS A 48 72.429 -4.115 -3.492 1.00 1.00 C ATOM 696 C CYS A 48 73.401 -5.018 -4.238 1.00 1.00 C ATOM 697 O CYS A 48 73.101 -6.186 -4.484 1.00 1.00 O ATOM 698 CB CYS A 48 71.310 -4.977 -2.889 1.00 1.00 C ATOM 699 SG CYS A 48 69.838 -3.994 -2.526 1.00 1.00 S ATOM 0 H CYS A 48 72.225 -2.159 -4.219 1.00 1.00 H new ATOM 0 HA CYS A 48 72.950 -3.596 -2.687 1.00 1.00 H new ATOM 0 HB2 CYS A 48 71.052 -5.777 -3.583 1.00 1.00 H new ATOM 0 HB3 CYS A 48 71.667 -5.451 -1.974 1.00 1.00 H new ATOM 704 N ASN A 49 74.575 -4.501 -4.589 1.00 1.00 N ATOM 705 CA ASN A 49 75.575 -5.295 -5.291 1.00 1.00 C ATOM 706 C ASN A 49 76.920 -5.086 -4.593 1.00 1.00 C ATOM 707 O ASN A 49 77.221 -3.971 -4.175 1.00 1.00 O ATOM 708 CB ASN A 49 75.666 -4.822 -6.745 1.00 1.00 C ATOM 709 CG ASN A 49 74.408 -5.236 -7.505 1.00 1.00 C ATOM 710 OD1 ASN A 49 73.597 -4.318 -7.961 1.00 1.00 O flip ATOM 711 ND2 ASN A 49 74.158 -6.426 -7.688 1.00 1.00 N flip ATOM 0 H ASN A 49 74.855 -3.539 -4.399 1.00 1.00 H new ATOM 0 HA ASN A 49 75.306 -6.351 -5.279 1.00 1.00 H new ATOM 0 HB2 ASN A 49 75.781 -3.739 -6.778 1.00 1.00 H new ATOM 0 HB3 ASN A 49 76.547 -5.251 -7.222 1.00 1.00 H new ATOM 0 HD21 ASN A 49 74.792 -7.141 -7.331 1.00 1.00 H new ATOM 0 HD22 ASN A 49 73.317 -6.698 -8.196 1.00 1.00 H new ATOM 718 N PRO A 50 77.727 -6.108 -4.437 1.00 1.00 N ATOM 719 CA PRO A 50 79.042 -5.965 -3.752 1.00 1.00 C ATOM 720 C PRO A 50 80.007 -5.116 -4.573 1.00 1.00 C ATOM 721 O PRO A 50 81.023 -5.606 -5.062 1.00 1.00 O ATOM 722 CB PRO A 50 79.535 -7.412 -3.585 1.00 1.00 C ATOM 723 CG PRO A 50 78.840 -8.182 -4.662 1.00 1.00 C ATOM 724 CD PRO A 50 77.495 -7.491 -4.890 1.00 1.00 C ATOM 0 HA PRO A 50 78.966 -5.448 -2.795 1.00 1.00 H new ATOM 0 HB2 PRO A 50 80.618 -7.475 -3.690 1.00 1.00 H new ATOM 0 HB3 PRO A 50 79.288 -7.802 -2.598 1.00 1.00 H new ATOM 0 HG2 PRO A 50 79.432 -8.190 -5.577 1.00 1.00 H new ATOM 0 HG3 PRO A 50 78.697 -9.221 -4.366 1.00 1.00 H new ATOM 0 HD2 PRO A 50 77.201 -7.524 -5.939 1.00 1.00 H new ATOM 0 HD3 PRO A 50 76.698 -7.970 -4.321 1.00 1.00 H new ATOM 732 N GLU A 51 79.648 -3.839 -4.719 1.00 1.00 N ATOM 733 CA GLU A 51 80.444 -2.876 -5.480 1.00 1.00 C ATOM 734 C GLU A 51 80.510 -3.262 -6.951 1.00 1.00 C ATOM 735 O GLU A 51 81.236 -2.644 -7.729 1.00 1.00 O ATOM 736 CB GLU A 51 81.867 -2.778 -4.911 1.00 1.00 C ATOM 737 CG GLU A 51 81.863 -2.097 -3.535 1.00 1.00 C ATOM 738 CD GLU A 51 80.698 -2.580 -2.674 1.00 1.00 C ATOM 739 OE1 GLU A 51 79.579 -2.184 -2.951 1.00 1.00 O ATOM 740 OE2 GLU A 51 80.945 -3.337 -1.749 1.00 1.00 O ATOM 0 H GLU A 51 78.799 -3.445 -4.314 1.00 1.00 H new ATOM 0 HA GLU A 51 79.956 -1.905 -5.393 1.00 1.00 H new ATOM 0 HB2 GLU A 51 82.298 -3.776 -4.826 1.00 1.00 H new ATOM 0 HB3 GLU A 51 82.499 -2.215 -5.598 1.00 1.00 H new ATOM 0 HG2 GLU A 51 82.804 -2.302 -3.024 1.00 1.00 H new ATOM 0 HG3 GLU A 51 81.799 -1.016 -3.663 1.00 1.00 H new ATOM 747 N ARG A 52 79.740 -4.277 -7.335 1.00 1.00 N ATOM 748 CA ARG A 52 79.716 -4.718 -8.727 1.00 1.00 C ATOM 749 C ARG A 52 78.673 -3.923 -9.495 1.00 1.00 C ATOM 750 O ARG A 52 77.776 -3.330 -8.896 1.00 1.00 O ATOM 751 CB ARG A 52 79.388 -6.206 -8.811 1.00 1.00 C ATOM 752 CG ARG A 52 80.489 -7.002 -8.106 1.00 1.00 C ATOM 753 CD ARG A 52 80.243 -8.514 -8.267 1.00 1.00 C ATOM 754 NE ARG A 52 80.798 -9.242 -7.131 1.00 1.00 N ATOM 755 CZ ARG A 52 82.089 -9.186 -6.823 1.00 1.00 C ATOM 756 NH1 ARG A 52 82.917 -8.519 -7.576 1.00 1.00 N ATOM 757 NH2 ARG A 52 82.529 -9.811 -5.767 1.00 1.00 N ATOM 0 H ARG A 52 79.131 -4.805 -6.710 1.00 1.00 H new ATOM 0 HA ARG A 52 80.700 -4.551 -9.164 1.00 1.00 H new ATOM 0 HB2 ARG A 52 78.423 -6.405 -8.345 1.00 1.00 H new ATOM 0 HB3 ARG A 52 79.309 -6.515 -9.853 1.00 1.00 H new ATOM 0 HG2 ARG A 52 81.461 -6.739 -8.523 1.00 1.00 H new ATOM 0 HG3 ARG A 52 80.515 -6.742 -7.048 1.00 1.00 H new ATOM 0 HD2 ARG A 52 79.173 -8.709 -8.345 1.00 1.00 H new ATOM 0 HD3 ARG A 52 80.699 -8.867 -9.192 1.00 1.00 H new ATOM 0 HE ARG A 52 80.176 -9.811 -6.556 1.00 1.00 H new ATOM 0 HH11 ARG A 52 82.575 -8.036 -8.407 1.00 1.00 H new ATOM 0 HH12 ARG A 52 83.907 -8.479 -7.335 1.00 1.00 H new ATOM 0 HH21 ARG A 52 81.883 -10.340 -5.181 1.00 1.00 H new ATOM 0 HH22 ARG A 52 83.519 -9.771 -5.526 1.00 1.00 H new ATOM 771 N ILE A 53 78.793 -3.891 -10.819 1.00 1.00 N ATOM 772 CA ILE A 53 77.851 -3.142 -11.637 1.00 1.00 C ATOM 773 C ILE A 53 76.551 -3.915 -11.848 1.00 1.00 C ATOM 774 O ILE A 53 76.545 -5.119 -12.104 1.00 1.00 O ATOM 775 CB ILE A 53 78.494 -2.810 -12.989 1.00 1.00 C ATOM 776 CG1 ILE A 53 77.463 -2.139 -13.909 1.00 1.00 C ATOM 777 CG2 ILE A 53 79.004 -4.090 -13.645 1.00 1.00 C ATOM 778 CD1 ILE A 53 78.168 -1.596 -15.153 1.00 1.00 C ATOM 0 H ILE A 53 79.526 -4.370 -11.342 1.00 1.00 H new ATOM 0 HA ILE A 53 77.604 -2.219 -11.112 1.00 1.00 H new ATOM 0 HB ILE A 53 79.328 -2.128 -12.827 1.00 1.00 H new ATOM 0 HG12 ILE A 53 76.695 -2.857 -14.197 1.00 1.00 H new ATOM 0 HG13 ILE A 53 76.960 -1.329 -13.380 1.00 1.00 H new ATOM 0 HG21 ILE A 53 79.460 -3.850 -14.605 1.00 1.00 H new ATOM 0 HG22 ILE A 53 79.745 -4.560 -12.999 1.00 1.00 H new ATOM 0 HG23 ILE A 53 78.171 -4.776 -13.800 1.00 1.00 H new ATOM 0 HD11 ILE A 53 77.437 -1.120 -15.807 1.00 1.00 H new ATOM 0 HD12 ILE A 53 78.920 -0.865 -14.855 1.00 1.00 H new ATOM 0 HD13 ILE A 53 78.650 -2.416 -15.685 1.00 1.00 H new ATOM 790 N GLN A 54 75.458 -3.189 -11.701 1.00 1.00 N ATOM 791 CA GLN A 54 74.140 -3.795 -11.839 1.00 1.00 C ATOM 792 C GLN A 54 73.996 -4.360 -13.257 1.00 1.00 C ATOM 793 O GLN A 54 73.406 -3.729 -14.134 1.00 1.00 O ATOM 794 CB GLN A 54 73.057 -2.737 -11.594 1.00 1.00 C ATOM 795 CG GLN A 54 73.507 -1.401 -12.197 1.00 1.00 C ATOM 796 CD GLN A 54 72.316 -0.459 -12.339 1.00 1.00 C ATOM 797 OE1 GLN A 54 72.246 0.605 -11.589 1.00 1.00 O flip ATOM 798 NE2 GLN A 54 71.426 -0.702 -13.153 1.00 1.00 N flip ATOM 0 H GLN A 54 75.452 -2.191 -11.489 1.00 1.00 H new ATOM 0 HA GLN A 54 74.026 -4.597 -11.110 1.00 1.00 H new ATOM 0 HB2 GLN A 54 72.116 -3.053 -12.043 1.00 1.00 H new ATOM 0 HB3 GLN A 54 72.878 -2.624 -10.525 1.00 1.00 H new ATOM 0 HG2 GLN A 54 74.267 -0.945 -11.562 1.00 1.00 H new ATOM 0 HG3 GLN A 54 73.965 -1.570 -13.172 1.00 1.00 H new ATOM 0 HE21 GLN A 54 71.484 -1.535 -13.738 1.00 1.00 H new ATOM 0 HE22 GLN A 54 70.630 -0.070 -13.243 1.00 1.00 H new ATOM 807 N ILE A 55 74.517 -5.581 -13.453 1.00 1.00 N ATOM 808 CA ILE A 55 74.428 -6.277 -14.739 1.00 1.00 C ATOM 809 C ILE A 55 74.386 -7.799 -14.527 1.00 1.00 C ATOM 810 O ILE A 55 74.823 -8.291 -13.485 1.00 1.00 O ATOM 811 CB ILE A 55 75.627 -5.908 -15.628 1.00 1.00 C ATOM 812 CG1 ILE A 55 75.303 -6.265 -17.089 1.00 1.00 C ATOM 813 CG2 ILE A 55 76.880 -6.676 -15.177 1.00 1.00 C ATOM 814 CD1 ILE A 55 76.428 -5.798 -18.026 1.00 1.00 C ATOM 0 H ILE A 55 75.007 -6.107 -12.729 1.00 1.00 H new ATOM 0 HA ILE A 55 73.508 -5.966 -15.234 1.00 1.00 H new ATOM 0 HB ILE A 55 75.820 -4.839 -15.542 1.00 1.00 H new ATOM 0 HG12 ILE A 55 75.168 -7.342 -17.184 1.00 1.00 H new ATOM 0 HG13 ILE A 55 74.362 -5.799 -17.382 1.00 1.00 H new ATOM 0 HG21 ILE A 55 77.722 -6.406 -15.815 1.00 1.00 H new ATOM 0 HG22 ILE A 55 77.111 -6.420 -14.143 1.00 1.00 H new ATOM 0 HG23 ILE A 55 76.697 -7.748 -15.253 1.00 1.00 H new ATOM 0 HD11 ILE A 55 76.178 -6.061 -19.054 1.00 1.00 H new ATOM 0 HD12 ILE A 55 76.543 -4.717 -17.946 1.00 1.00 H new ATOM 0 HD13 ILE A 55 77.362 -6.284 -17.744 1.00 1.00 H new ATOM 826 N GLY A 56 73.878 -8.551 -15.511 1.00 1.00 N ATOM 827 CA GLY A 56 73.813 -10.019 -15.405 1.00 1.00 C ATOM 828 C GLY A 56 72.381 -10.487 -15.182 1.00 1.00 C ATOM 829 O GLY A 56 72.093 -11.683 -15.166 1.00 1.00 O ATOM 0 H GLY A 56 73.508 -8.174 -16.384 1.00 1.00 H new ATOM 0 HA2 GLY A 56 74.210 -10.471 -16.314 1.00 1.00 H new ATOM 0 HA3 GLY A 56 74.442 -10.356 -14.581 1.00 1.00 H new ATOM 833 N ASP A 57 71.502 -9.522 -15.016 1.00 1.00 N ATOM 834 CA ASP A 57 70.089 -9.810 -14.797 1.00 1.00 C ATOM 835 C ASP A 57 69.397 -10.092 -16.123 1.00 1.00 C ATOM 836 O ASP A 57 69.182 -9.197 -16.936 1.00 1.00 O ATOM 837 CB ASP A 57 69.443 -8.640 -14.092 1.00 1.00 C ATOM 838 CG ASP A 57 69.856 -7.339 -14.764 1.00 1.00 C ATOM 839 OD1 ASP A 57 71.007 -6.964 -14.619 1.00 1.00 O ATOM 840 OD2 ASP A 57 69.020 -6.741 -15.419 1.00 1.00 O ATOM 0 H ASP A 57 71.735 -8.529 -15.027 1.00 1.00 H new ATOM 0 HA ASP A 57 69.991 -10.697 -14.171 1.00 1.00 H new ATOM 0 HB2 ASP A 57 68.358 -8.744 -14.116 1.00 1.00 H new ATOM 0 HB3 ASP A 57 69.739 -8.628 -13.043 1.00 1.00 H new ATOM 845 N TRP A 58 69.112 -11.372 -16.339 1.00 1.00 N ATOM 846 CA TRP A 58 68.504 -11.846 -17.587 1.00 1.00 C ATOM 847 C TRP A 58 66.964 -11.889 -17.581 1.00 1.00 C ATOM 848 O TRP A 58 66.269 -11.647 -16.598 1.00 1.00 O ATOM 849 CB TRP A 58 69.092 -13.226 -17.995 1.00 1.00 C ATOM 850 CG TRP A 58 70.157 -13.073 -19.053 1.00 1.00 C ATOM 851 CD1 TRP A 58 71.193 -12.207 -18.975 1.00 1.00 C ATOM 852 CD2 TRP A 58 70.314 -13.783 -20.324 1.00 1.00 C ATOM 853 NE1 TRP A 58 71.977 -12.341 -20.105 1.00 1.00 N ATOM 854 CE2 TRP A 58 71.479 -13.295 -20.967 1.00 1.00 C ATOM 855 CE3 TRP A 58 69.575 -14.791 -20.979 1.00 1.00 C ATOM 856 CZ2 TRP A 58 71.897 -13.785 -22.206 1.00 1.00 C ATOM 857 CZ3 TRP A 58 69.997 -15.284 -22.230 1.00 1.00 C ATOM 858 CH2 TRP A 58 71.156 -14.782 -22.840 1.00 1.00 C ATOM 0 H TRP A 58 69.293 -12.111 -15.660 1.00 1.00 H new ATOM 0 HA TRP A 58 68.765 -11.098 -18.335 1.00 1.00 H new ATOM 0 HB2 TRP A 58 69.514 -13.718 -17.119 1.00 1.00 H new ATOM 0 HB3 TRP A 58 68.294 -13.868 -18.368 1.00 1.00 H new ATOM 0 HD1 TRP A 58 71.378 -11.522 -18.161 1.00 1.00 H new ATOM 0 HE1 TRP A 58 72.823 -11.799 -20.280 1.00 1.00 H new ATOM 0 HE3 TRP A 58 68.681 -15.187 -20.519 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 72.790 -13.394 -22.671 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 69.423 -16.055 -22.723 1.00 1.00 H new ATOM 0 HH2 TRP A 58 71.474 -15.166 -23.798 1.00 1.00 H new ATOM 869 N ARG A 59 66.535 -12.200 -18.781 1.00 1.00 N ATOM 870 CA ARG A 59 65.109 -12.304 -19.114 1.00 1.00 C ATOM 871 C ARG A 59 64.509 -13.634 -18.630 1.00 1.00 C ATOM 872 O ARG A 59 63.611 -13.656 -17.788 1.00 1.00 O ATOM 873 CB ARG A 59 64.923 -12.179 -20.628 1.00 1.00 C ATOM 874 CG ARG A 59 65.278 -10.745 -21.086 1.00 1.00 C ATOM 875 CD ARG A 59 65.862 -10.780 -22.501 1.00 1.00 C ATOM 876 NE ARG A 59 67.049 -11.627 -22.508 1.00 1.00 N ATOM 877 CZ ARG A 59 67.927 -11.598 -23.502 1.00 1.00 C ATOM 878 NH1 ARG A 59 67.764 -10.781 -24.509 1.00 1.00 N ATOM 879 NH2 ARG A 59 68.963 -12.388 -23.461 1.00 1.00 N ATOM 0 H ARG A 59 67.157 -12.391 -19.567 1.00 1.00 H new ATOM 0 HA ARG A 59 64.587 -11.494 -18.605 1.00 1.00 H new ATOM 0 HB2 ARG A 59 65.557 -12.902 -21.142 1.00 1.00 H new ATOM 0 HB3 ARG A 59 63.893 -12.411 -20.897 1.00 1.00 H new ATOM 0 HG2 ARG A 59 64.388 -10.117 -21.066 1.00 1.00 H new ATOM 0 HG3 ARG A 59 65.997 -10.301 -20.397 1.00 1.00 H new ATOM 0 HD2 ARG A 59 65.122 -11.164 -23.203 1.00 1.00 H new ATOM 0 HD3 ARG A 59 66.118 -9.772 -22.827 1.00 1.00 H new ATOM 0 HE ARG A 59 67.209 -12.261 -21.725 1.00 1.00 H new ATOM 0 HH11 ARG A 59 66.956 -10.159 -24.535 1.00 1.00 H new ATOM 0 HH12 ARG A 59 68.444 -10.766 -25.269 1.00 1.00 H new ATOM 0 HH21 ARG A 59 69.092 -13.020 -22.670 1.00 1.00 H new ATOM 0 HH22 ARG A 59 69.645 -12.375 -24.219 1.00 1.00 H new ATOM 893 N TYR A 60 65.020 -14.721 -19.171 1.00 1.00 N ATOM 894 CA TYR A 60 64.589 -16.090 -18.836 1.00 1.00 C ATOM 895 C TYR A 60 65.406 -16.733 -17.707 1.00 1.00 C ATOM 896 O TYR A 60 65.027 -17.790 -17.159 1.00 1.00 O ATOM 897 CB TYR A 60 64.631 -16.988 -20.087 1.00 1.00 C ATOM 898 CG TYR A 60 64.524 -18.444 -19.677 1.00 1.00 C ATOM 899 CD1 TYR A 60 63.277 -19.018 -19.397 1.00 1.00 C ATOM 900 CD2 TYR A 60 65.689 -19.210 -19.549 1.00 1.00 C ATOM 901 CE1 TYR A 60 63.197 -20.360 -18.995 1.00 1.00 C ATOM 902 CE2 TYR A 60 65.611 -20.545 -19.142 1.00 1.00 C ATOM 903 CZ TYR A 60 64.366 -21.121 -18.866 1.00 1.00 C ATOM 904 OH TYR A 60 64.291 -22.439 -18.460 1.00 1.00 O ATOM 0 H TYR A 60 65.762 -14.692 -19.871 1.00 1.00 H new ATOM 0 HA TYR A 60 63.566 -16.002 -18.471 1.00 1.00 H new ATOM 0 HB2 TYR A 60 63.813 -16.729 -20.760 1.00 1.00 H new ATOM 0 HB3 TYR A 60 65.559 -16.822 -20.634 1.00 1.00 H new ATOM 0 HD1 TYR A 60 62.377 -18.428 -19.491 1.00 1.00 H new ATOM 0 HD2 TYR A 60 66.650 -18.768 -19.765 1.00 1.00 H new ATOM 0 HE1 TYR A 60 62.236 -20.805 -18.785 1.00 1.00 H new ATOM 0 HE2 TYR A 60 66.512 -21.132 -19.041 1.00 1.00 H new ATOM 0 HH TYR A 60 65.023 -22.632 -17.838 1.00 1.00 H new ATOM 914 N GLU A 61 66.518 -16.139 -17.325 1.00 1.00 N ATOM 915 CA GLU A 61 67.332 -16.723 -16.287 1.00 1.00 C ATOM 916 C GLU A 61 66.803 -16.390 -14.899 1.00 1.00 C ATOM 917 O GLU A 61 67.254 -16.957 -13.917 1.00 1.00 O ATOM 918 CB GLU A 61 68.778 -16.213 -16.446 1.00 1.00 C ATOM 919 CG GLU A 61 69.796 -17.300 -16.087 1.00 1.00 C ATOM 920 CD GLU A 61 71.205 -16.823 -16.430 1.00 1.00 C ATOM 921 OE1 GLU A 61 71.525 -16.784 -17.607 1.00 1.00 O ATOM 922 OE2 GLU A 61 71.946 -16.521 -15.511 1.00 1.00 O ATOM 0 H GLU A 61 66.873 -15.265 -17.713 1.00 1.00 H new ATOM 0 HA GLU A 61 67.302 -17.808 -16.388 1.00 1.00 H new ATOM 0 HB2 GLU A 61 68.939 -15.886 -17.473 1.00 1.00 H new ATOM 0 HB3 GLU A 61 68.931 -15.343 -15.807 1.00 1.00 H new ATOM 0 HG2 GLU A 61 69.731 -17.536 -15.025 1.00 1.00 H new ATOM 0 HG3 GLU A 61 69.570 -18.217 -16.632 1.00 1.00 H new ATOM 929 N VAL A 62 65.928 -15.402 -14.799 1.00 1.00 N ATOM 930 CA VAL A 62 65.471 -14.952 -13.482 1.00 1.00 C ATOM 931 C VAL A 62 65.095 -16.115 -12.593 1.00 1.00 C ATOM 932 O VAL A 62 65.548 -16.183 -11.475 1.00 1.00 O ATOM 933 CB VAL A 62 64.272 -13.967 -13.618 1.00 1.00 C ATOM 934 CG1 VAL A 62 64.616 -12.618 -12.974 1.00 1.00 C ATOM 935 CG2 VAL A 62 63.944 -13.738 -15.096 1.00 1.00 C ATOM 0 H VAL A 62 65.524 -14.902 -15.591 1.00 1.00 H new ATOM 0 HA VAL A 62 66.304 -14.428 -13.013 1.00 1.00 H new ATOM 0 HB VAL A 62 63.411 -14.405 -13.112 1.00 1.00 H new ATOM 0 HG11 VAL A 62 63.769 -11.939 -13.076 1.00 1.00 H new ATOM 0 HG12 VAL A 62 64.837 -12.765 -11.917 1.00 1.00 H new ATOM 0 HG13 VAL A 62 65.487 -12.189 -13.470 1.00 1.00 H new ATOM 0 HG21 VAL A 62 63.104 -13.048 -15.180 1.00 1.00 H new ATOM 0 HG22 VAL A 62 64.813 -13.315 -15.600 1.00 1.00 H new ATOM 0 HG23 VAL A 62 63.681 -14.688 -15.562 1.00 1.00 H new ATOM 945 N ALA A 63 64.245 -17.003 -13.048 1.00 1.00 N ATOM 946 CA ALA A 63 63.860 -18.114 -12.205 1.00 1.00 C ATOM 947 C ALA A 63 65.045 -19.053 -12.024 1.00 1.00 C ATOM 948 O ALA A 63 65.374 -19.444 -10.899 1.00 1.00 O ATOM 949 CB ALA A 63 62.696 -18.880 -12.832 1.00 1.00 C ATOM 0 H ALA A 63 63.815 -16.984 -13.973 1.00 1.00 H new ATOM 0 HA ALA A 63 63.547 -17.726 -11.236 1.00 1.00 H new ATOM 0 HB1 ALA A 63 62.418 -19.713 -12.186 1.00 1.00 H new ATOM 0 HB2 ALA A 63 61.843 -18.212 -12.950 1.00 1.00 H new ATOM 0 HB3 ALA A 63 62.996 -19.262 -13.808 1.00 1.00 H new ATOM 955 N HIS A 64 65.713 -19.365 -13.140 1.00 1.00 N ATOM 956 CA HIS A 64 66.880 -20.252 -13.049 1.00 1.00 C ATOM 957 C HIS A 64 67.819 -19.724 -11.957 1.00 1.00 C ATOM 958 O HIS A 64 68.142 -20.432 -11.013 1.00 1.00 O ATOM 959 CB HIS A 64 67.622 -20.352 -14.394 1.00 1.00 C ATOM 960 CG HIS A 64 67.077 -21.493 -15.220 1.00 1.00 C ATOM 961 ND1 HIS A 64 67.897 -22.483 -15.734 1.00 1.00 N ATOM 962 CD2 HIS A 64 65.804 -21.810 -15.628 1.00 1.00 C ATOM 963 CE1 HIS A 64 67.121 -23.340 -16.420 1.00 1.00 C ATOM 964 NE2 HIS A 64 65.836 -22.978 -16.388 1.00 1.00 N ATOM 0 H HIS A 64 65.481 -19.035 -14.077 1.00 1.00 H new ATOM 0 HA HIS A 64 66.540 -21.256 -12.795 1.00 1.00 H new ATOM 0 HB2 HIS A 64 67.517 -19.416 -14.943 1.00 1.00 H new ATOM 0 HB3 HIS A 64 68.687 -20.501 -14.217 1.00 1.00 H new ATOM 0 HD1 HIS A 64 68.908 -22.550 -15.614 1.00 1.00 H new ATOM 0 HD2 HIS A 64 64.915 -21.242 -15.396 1.00 1.00 H new ATOM 0 HE1 HIS A 64 67.492 -24.214 -16.934 1.00 1.00 H new ATOM 972 N ASP A 65 68.225 -18.469 -12.074 1.00 1.00 N ATOM 973 CA ASP A 65 69.098 -17.863 -11.072 1.00 1.00 C ATOM 974 C ASP A 65 68.305 -17.572 -9.800 1.00 1.00 C ATOM 975 O ASP A 65 68.702 -17.965 -8.689 1.00 1.00 O ATOM 976 CB ASP A 65 69.729 -16.586 -11.624 1.00 1.00 C ATOM 977 CG ASP A 65 70.760 -16.953 -12.686 1.00 1.00 C ATOM 978 OD1 ASP A 65 70.806 -18.115 -13.058 1.00 1.00 O ATOM 979 OD2 ASP A 65 71.488 -16.071 -13.110 1.00 1.00 O ATOM 0 H ASP A 65 67.968 -17.852 -12.845 1.00 1.00 H new ATOM 0 HA ASP A 65 69.900 -18.560 -10.828 1.00 1.00 H new ATOM 0 HB2 ASP A 65 68.961 -15.943 -12.053 1.00 1.00 H new ATOM 0 HB3 ASP A 65 70.203 -16.023 -10.820 1.00 1.00 H new ATOM 984 N GLY A 66 67.149 -16.937 -9.927 1.00 1.00 N ATOM 985 CA GLY A 66 66.298 -16.665 -8.784 1.00 1.00 C ATOM 986 C GLY A 66 65.775 -17.964 -8.201 1.00 1.00 C ATOM 987 O GLY A 66 64.754 -17.998 -7.513 1.00 1.00 O ATOM 0 H GLY A 66 66.780 -16.600 -10.816 1.00 1.00 H new ATOM 0 HA2 GLY A 66 66.858 -16.117 -8.026 1.00 1.00 H new ATOM 0 HA3 GLY A 66 65.464 -16.031 -9.085 1.00 1.00 H new ATOM 991 N ARG A 67 66.562 -19.000 -8.393 1.00 1.00 N ATOM 992 CA ARG A 67 66.327 -20.294 -7.825 1.00 1.00 C ATOM 993 C ARG A 67 66.659 -20.167 -6.356 1.00 1.00 C ATOM 994 O ARG A 67 66.589 -21.144 -5.613 1.00 1.00 O ATOM 995 CB ARG A 67 67.251 -21.350 -8.459 1.00 1.00 C ATOM 996 CG ARG A 67 66.520 -22.132 -9.566 1.00 1.00 C ATOM 997 CD ARG A 67 65.508 -23.130 -8.956 1.00 1.00 C ATOM 998 NE ARG A 67 65.941 -24.493 -9.238 1.00 1.00 N ATOM 999 CZ ARG A 67 65.896 -24.981 -10.472 1.00 1.00 C ATOM 1000 NH1 ARG A 67 65.383 -24.268 -11.438 1.00 1.00 N ATOM 1001 NH2 ARG A 67 66.354 -26.176 -10.716 1.00 1.00 N ATOM 0 H ARG A 67 67.405 -18.956 -8.966 1.00 1.00 H new ATOM 0 HA ARG A 67 65.298 -20.609 -7.996 1.00 1.00 H new ATOM 0 HB2 ARG A 67 68.133 -20.863 -8.875 1.00 1.00 H new ATOM 0 HB3 ARG A 67 67.600 -22.041 -7.691 1.00 1.00 H new ATOM 0 HG2 ARG A 67 66.000 -21.437 -10.226 1.00 1.00 H new ATOM 0 HG3 ARG A 67 67.245 -22.670 -10.177 1.00 1.00 H new ATOM 0 HD2 ARG A 67 65.433 -22.976 -7.880 1.00 1.00 H new ATOM 0 HD3 ARG A 67 64.515 -22.959 -9.373 1.00 1.00 H new ATOM 0 HE ARG A 67 66.283 -25.080 -8.477 1.00 1.00 H new ATOM 0 HH11 ARG A 67 65.017 -23.336 -11.245 1.00 1.00 H new ATOM 0 HH12 ARG A 67 65.349 -24.643 -12.386 1.00 1.00 H new ATOM 0 HH21 ARG A 67 66.747 -26.736 -9.959 1.00 1.00 H new ATOM 0 HH22 ARG A 67 66.320 -26.552 -11.664 1.00 1.00 H new ATOM 1015 N LEU A 68 67.064 -18.952 -5.942 1.00 1.00 N ATOM 1016 CA LEU A 68 67.453 -18.726 -4.551 1.00 1.00 C ATOM 1017 C LEU A 68 66.531 -19.494 -3.607 1.00 1.00 C ATOM 1018 O LEU A 68 66.960 -19.982 -2.566 1.00 1.00 O ATOM 1019 CB LEU A 68 67.323 -17.234 -4.154 1.00 1.00 C ATOM 1020 CG LEU A 68 68.071 -16.278 -5.137 1.00 1.00 C ATOM 1021 CD1 LEU A 68 67.133 -15.147 -5.605 1.00 1.00 C ATOM 1022 CD2 LEU A 68 69.272 -15.626 -4.424 1.00 1.00 C ATOM 0 H LEU A 68 67.128 -18.130 -6.543 1.00 1.00 H new ATOM 0 HA LEU A 68 68.488 -19.057 -4.468 1.00 1.00 H new ATOM 0 HB2 LEU A 68 66.268 -16.962 -4.122 1.00 1.00 H new ATOM 0 HB3 LEU A 68 67.718 -17.095 -3.148 1.00 1.00 H new ATOM 0 HG LEU A 68 68.405 -16.868 -5.991 1.00 1.00 H new ATOM 0 HD11 LEU A 68 67.669 -14.489 -6.289 1.00 1.00 H new ATOM 0 HD12 LEU A 68 66.271 -15.577 -6.115 1.00 1.00 H new ATOM 0 HD13 LEU A 68 66.795 -14.574 -4.742 1.00 1.00 H new ATOM 0 HD21 LEU A 68 69.789 -14.961 -5.116 1.00 1.00 H new ATOM 0 HD22 LEU A 68 68.919 -15.054 -3.566 1.00 1.00 H new ATOM 0 HD23 LEU A 68 69.959 -16.402 -4.085 1.00 1.00 H new ATOM 1034 N LEU A 69 65.250 -19.515 -3.940 1.00 1.00 N ATOM 1035 CA LEU A 69 64.276 -20.155 -3.028 1.00 1.00 C ATOM 1036 C LEU A 69 64.499 -21.672 -2.863 1.00 1.00 C ATOM 1037 O LEU A 69 64.834 -22.137 -1.773 1.00 1.00 O ATOM 1038 CB LEU A 69 62.835 -19.942 -3.572 1.00 1.00 C ATOM 1039 CG LEU A 69 62.143 -18.692 -2.949 1.00 1.00 C ATOM 1040 CD1 LEU A 69 62.192 -17.507 -3.921 1.00 1.00 C ATOM 1041 CD2 LEU A 69 60.673 -19.015 -2.642 1.00 1.00 C ATOM 0 H LEU A 69 64.858 -19.119 -4.794 1.00 1.00 H new ATOM 0 HA LEU A 69 64.416 -19.686 -2.054 1.00 1.00 H new ATOM 0 HB2 LEU A 69 62.871 -19.831 -4.656 1.00 1.00 H new ATOM 0 HB3 LEU A 69 62.236 -20.828 -3.362 1.00 1.00 H new ATOM 0 HG LEU A 69 62.672 -18.429 -2.033 1.00 1.00 H new ATOM 0 HD11 LEU A 69 61.704 -16.644 -3.468 1.00 1.00 H new ATOM 0 HD12 LEU A 69 63.230 -17.261 -4.143 1.00 1.00 H new ATOM 0 HD13 LEU A 69 61.677 -17.772 -4.844 1.00 1.00 H new ATOM 0 HD21 LEU A 69 60.191 -18.140 -2.206 1.00 1.00 H new ATOM 0 HD22 LEU A 69 60.161 -19.290 -3.564 1.00 1.00 H new ATOM 0 HD23 LEU A 69 60.622 -19.845 -1.937 1.00 1.00 H new ATOM 1053 N ALA A 70 64.239 -22.433 -3.923 1.00 1.00 N ATOM 1054 CA ALA A 70 64.356 -23.886 -3.771 1.00 1.00 C ATOM 1055 C ALA A 70 65.812 -24.295 -3.788 1.00 1.00 C ATOM 1056 O ALA A 70 66.403 -24.569 -2.746 1.00 1.00 O ATOM 1057 CB ALA A 70 63.614 -24.601 -4.904 1.00 1.00 C ATOM 0 H ALA A 70 63.962 -22.098 -4.846 1.00 1.00 H new ATOM 0 HA ALA A 70 63.911 -24.170 -2.817 1.00 1.00 H new ATOM 0 HB1 ALA A 70 63.710 -25.679 -4.778 1.00 1.00 H new ATOM 0 HB2 ALA A 70 62.560 -24.325 -4.880 1.00 1.00 H new ATOM 0 HB3 ALA A 70 64.044 -24.308 -5.862 1.00 1.00 H new ATOM 1063 N ALA A 71 66.378 -24.361 -4.970 1.00 1.00 N ATOM 1064 CA ALA A 71 67.746 -24.763 -5.208 1.00 1.00 C ATOM 1065 C ALA A 71 68.745 -23.806 -4.624 1.00 1.00 C ATOM 1066 O ALA A 71 69.887 -23.818 -5.055 1.00 1.00 O ATOM 1067 CB ALA A 71 67.976 -24.990 -6.694 1.00 1.00 C ATOM 0 H ALA A 71 65.878 -24.127 -5.828 1.00 1.00 H new ATOM 0 HA ALA A 71 67.906 -25.707 -4.686 1.00 1.00 H new ATOM 0 HB1 ALA A 71 69.010 -25.292 -6.860 1.00 1.00 H new ATOM 0 HB2 ALA A 71 67.307 -25.774 -7.050 1.00 1.00 H new ATOM 0 HB3 ALA A 71 67.776 -24.067 -7.238 1.00 1.00 H new ATOM 1073 N HIS A 72 68.286 -22.924 -3.732 1.00 1.00 N ATOM 1074 CA HIS A 72 69.117 -21.861 -3.156 1.00 1.00 C ATOM 1075 C HIS A 72 70.614 -22.119 -3.308 1.00 1.00 C ATOM 1076 O HIS A 72 71.375 -21.177 -3.524 1.00 1.00 O ATOM 1077 CB HIS A 72 68.776 -21.710 -1.656 1.00 1.00 C ATOM 1078 CG HIS A 72 69.570 -22.695 -0.821 1.00 1.00 C ATOM 1079 ND1 HIS A 72 70.388 -22.285 0.220 1.00 1.00 N ATOM 1080 CD2 HIS A 72 69.687 -24.064 -0.873 1.00 1.00 C ATOM 1081 CE1 HIS A 72 70.956 -23.385 0.750 1.00 1.00 C ATOM 1082 NE2 HIS A 72 70.564 -24.496 0.122 1.00 1.00 N ATOM 0 H HIS A 72 67.326 -22.926 -3.388 1.00 1.00 H new ATOM 0 HA HIS A 72 68.895 -20.946 -3.706 1.00 1.00 H new ATOM 0 HB2 HIS A 72 68.993 -20.693 -1.330 1.00 1.00 H new ATOM 0 HB3 HIS A 72 67.709 -21.874 -1.503 1.00 1.00 H new ATOM 0 HD2 HIS A 72 69.178 -24.706 -1.576 1.00 1.00 H new ATOM 0 HE1 HIS A 72 71.645 -23.370 1.582 1.00 1.00 H new ATOM 0 HE2 HIS A 72 70.845 -25.455 0.326 1.00 1.00 H new ATOM 1090 N MET A 73 71.035 -23.368 -3.273 1.00 1.00 N ATOM 1091 CA MET A 73 72.438 -23.635 -3.492 1.00 1.00 C ATOM 1092 C MET A 73 72.814 -23.143 -4.903 1.00 1.00 C ATOM 1093 O MET A 73 73.815 -22.446 -5.064 1.00 1.00 O ATOM 1094 CB MET A 73 72.766 -25.129 -3.315 1.00 1.00 C ATOM 1095 CG MET A 73 71.641 -26.012 -3.871 1.00 1.00 C ATOM 1096 SD MET A 73 72.005 -27.751 -3.504 1.00 1.00 S ATOM 1097 CE MET A 73 71.721 -27.706 -1.710 1.00 1.00 C ATOM 0 H MET A 73 70.449 -24.185 -3.102 1.00 1.00 H new ATOM 0 HA MET A 73 73.028 -23.100 -2.747 1.00 1.00 H new ATOM 0 HB2 MET A 73 73.701 -25.362 -3.825 1.00 1.00 H new ATOM 0 HB3 MET A 73 72.916 -25.349 -2.258 1.00 1.00 H new ATOM 0 HG2 MET A 73 70.687 -25.727 -3.428 1.00 1.00 H new ATOM 0 HG3 MET A 73 71.548 -25.867 -4.947 1.00 1.00 H new ATOM 0 HE1 MET A 73 71.405 -28.691 -1.367 1.00 1.00 H new ATOM 0 HE2 MET A 73 72.643 -27.424 -1.203 1.00 1.00 H new ATOM 0 HE3 MET A 73 70.944 -26.976 -1.483 1.00 1.00 H new ATOM 1107 N VAL A 74 72.076 -23.582 -5.944 1.00 1.00 N ATOM 1108 CA VAL A 74 72.469 -23.222 -7.313 1.00 1.00 C ATOM 1109 C VAL A 74 72.844 -21.760 -7.441 1.00 1.00 C ATOM 1110 O VAL A 74 73.893 -21.522 -7.986 1.00 1.00 O ATOM 1111 CB VAL A 74 71.421 -23.567 -8.381 1.00 1.00 C ATOM 1112 CG1 VAL A 74 71.170 -25.082 -8.396 1.00 1.00 C ATOM 1113 CG2 VAL A 74 70.116 -22.802 -8.138 1.00 1.00 C ATOM 0 H VAL A 74 71.240 -24.162 -5.866 1.00 1.00 H new ATOM 0 HA VAL A 74 73.346 -23.841 -7.503 1.00 1.00 H new ATOM 0 HB VAL A 74 71.805 -23.264 -9.355 1.00 1.00 H new ATOM 0 HG11 VAL A 74 70.426 -25.320 -9.156 1.00 1.00 H new ATOM 0 HG12 VAL A 74 72.100 -25.603 -8.624 1.00 1.00 H new ATOM 0 HG13 VAL A 74 70.806 -25.400 -7.419 1.00 1.00 H new ATOM 0 HG21 VAL A 74 69.391 -23.065 -8.909 1.00 1.00 H new ATOM 0 HG22 VAL A 74 69.716 -23.066 -7.159 1.00 1.00 H new ATOM 0 HG23 VAL A 74 70.311 -21.730 -8.173 1.00 1.00 H new ATOM 1123 N ASN A 75 72.042 -20.765 -7.005 1.00 1.00 N ATOM 1124 CA ASN A 75 72.442 -19.340 -7.166 1.00 1.00 C ATOM 1125 C ASN A 75 73.949 -19.152 -6.971 1.00 1.00 C ATOM 1126 O ASN A 75 74.554 -18.185 -7.454 1.00 1.00 O ATOM 1127 CB ASN A 75 71.682 -18.460 -6.158 1.00 1.00 C ATOM 1128 CG ASN A 75 71.637 -17.013 -6.647 1.00 1.00 C ATOM 1129 OD1 ASN A 75 72.503 -16.153 -6.188 1.00 1.00 O flip ATOM 1130 ND2 ASN A 75 70.792 -16.660 -7.470 1.00 1.00 N flip ATOM 0 H ASN A 75 71.140 -20.908 -6.552 1.00 1.00 H new ATOM 0 HA ASN A 75 72.189 -19.040 -8.183 1.00 1.00 H new ATOM 0 HB2 ASN A 75 70.668 -18.838 -6.026 1.00 1.00 H new ATOM 0 HB3 ASN A 75 72.169 -18.507 -5.184 1.00 1.00 H new ATOM 0 HD21 ASN A 75 70.116 -17.334 -7.828 1.00 1.00 H new ATOM 0 HD22 ASN A 75 70.768 -15.693 -7.794 1.00 1.00 H new ATOM 1137 N GLY A 76 74.565 -20.146 -6.365 1.00 1.00 N ATOM 1138 CA GLY A 76 76.001 -20.151 -6.229 1.00 1.00 C ATOM 1139 C GLY A 76 76.589 -19.979 -7.633 1.00 1.00 C ATOM 1140 O GLY A 76 77.709 -19.528 -7.803 1.00 1.00 O ATOM 0 H GLY A 76 74.094 -20.956 -5.962 1.00 1.00 H new ATOM 0 HA2 GLY A 76 76.328 -19.344 -5.573 1.00 1.00 H new ATOM 0 HA3 GLY A 76 76.342 -21.084 -5.781 1.00 1.00 H new ATOM 1144 N ILE A 77 75.809 -20.347 -8.653 1.00 1.00 N ATOM 1145 CA ILE A 77 76.271 -20.229 -10.010 1.00 1.00 C ATOM 1146 C ILE A 77 76.803 -18.821 -10.256 1.00 1.00 C ATOM 1147 O ILE A 77 77.908 -18.696 -10.770 1.00 1.00 O ATOM 1148 CB ILE A 77 75.178 -20.631 -11.017 1.00 1.00 C ATOM 1149 CG1 ILE A 77 73.866 -19.879 -10.746 1.00 1.00 C ATOM 1150 CG2 ILE A 77 74.937 -22.143 -10.914 1.00 1.00 C ATOM 1151 CD1 ILE A 77 72.956 -19.989 -11.977 1.00 1.00 C ATOM 0 H ILE A 77 74.867 -20.724 -8.552 1.00 1.00 H new ATOM 0 HA ILE A 77 77.093 -20.928 -10.164 1.00 1.00 H new ATOM 0 HB ILE A 77 75.514 -20.369 -12.020 1.00 1.00 H new ATOM 0 HG12 ILE A 77 73.367 -20.298 -9.872 1.00 1.00 H new ATOM 0 HG13 ILE A 77 74.072 -18.832 -10.524 1.00 1.00 H new ATOM 0 HG21 ILE A 77 74.164 -22.437 -11.624 1.00 1.00 H new ATOM 0 HG22 ILE A 77 75.861 -22.675 -11.142 1.00 1.00 H new ATOM 0 HG23 ILE A 77 74.615 -22.392 -9.903 1.00 1.00 H new ATOM 0 HD11 ILE A 77 72.024 -19.457 -11.789 1.00 1.00 H new ATOM 0 HD12 ILE A 77 73.457 -19.550 -12.840 1.00 1.00 H new ATOM 0 HD13 ILE A 77 72.740 -21.038 -12.178 1.00 1.00 H new ATOM 1163 N VAL A 78 76.087 -17.739 -9.900 1.00 1.00 N ATOM 1164 CA VAL A 78 76.603 -16.387 -10.109 1.00 1.00 C ATOM 1165 C VAL A 78 77.956 -16.163 -9.450 1.00 1.00 C ATOM 1166 O VAL A 78 78.693 -15.250 -9.832 1.00 1.00 O ATOM 1167 CB VAL A 78 75.625 -15.385 -9.485 1.00 1.00 C ATOM 1168 CG1 VAL A 78 76.025 -13.965 -9.884 1.00 1.00 C ATOM 1169 CG2 VAL A 78 74.202 -15.681 -9.959 1.00 1.00 C ATOM 0 H VAL A 78 75.162 -17.779 -9.472 1.00 1.00 H new ATOM 0 HA VAL A 78 76.714 -16.252 -11.185 1.00 1.00 H new ATOM 0 HB VAL A 78 75.659 -15.476 -8.399 1.00 1.00 H new ATOM 0 HG11 VAL A 78 75.329 -13.253 -9.440 1.00 1.00 H new ATOM 0 HG12 VAL A 78 77.034 -13.757 -9.527 1.00 1.00 H new ATOM 0 HG13 VAL A 78 75.997 -13.871 -10.970 1.00 1.00 H new ATOM 0 HG21 VAL A 78 73.513 -14.965 -9.511 1.00 1.00 H new ATOM 0 HG22 VAL A 78 74.156 -15.599 -11.045 1.00 1.00 H new ATOM 0 HG23 VAL A 78 73.921 -16.691 -9.659 1.00 1.00 H new ATOM 1179 N ILE A 79 78.307 -17.002 -8.474 1.00 1.00 N ATOM 1180 CA ILE A 79 79.609 -16.847 -7.816 1.00 1.00 C ATOM 1181 C ILE A 79 80.660 -17.682 -8.543 1.00 1.00 C ATOM 1182 O ILE A 79 81.767 -17.220 -8.807 1.00 1.00 O ATOM 1183 CB ILE A 79 79.546 -17.171 -6.292 1.00 1.00 C ATOM 1184 CG1 ILE A 79 79.934 -18.640 -5.972 1.00 1.00 C ATOM 1185 CG2 ILE A 79 78.128 -16.890 -5.787 1.00 1.00 C ATOM 1186 CD1 ILE A 79 81.452 -18.787 -5.787 1.00 1.00 C ATOM 0 H ILE A 79 77.732 -17.771 -8.129 1.00 1.00 H new ATOM 0 HA ILE A 79 79.901 -15.799 -7.880 1.00 1.00 H new ATOM 0 HB ILE A 79 80.274 -16.536 -5.787 1.00 1.00 H new ATOM 0 HG12 ILE A 79 79.422 -18.965 -5.066 1.00 1.00 H new ATOM 0 HG13 ILE A 79 79.599 -19.291 -6.779 1.00 1.00 H new ATOM 0 HG21 ILE A 79 78.070 -17.113 -4.722 1.00 1.00 H new ATOM 0 HG22 ILE A 79 77.884 -15.840 -5.952 1.00 1.00 H new ATOM 0 HG23 ILE A 79 77.418 -17.516 -6.328 1.00 1.00 H new ATOM 0 HD11 ILE A 79 81.692 -19.827 -5.564 1.00 1.00 H new ATOM 0 HD12 ILE A 79 81.961 -18.485 -6.702 1.00 1.00 H new ATOM 0 HD13 ILE A 79 81.781 -18.154 -4.963 1.00 1.00 H new ATOM 1198 N ALA A 80 80.298 -18.912 -8.871 1.00 1.00 N ATOM 1199 CA ALA A 80 81.200 -19.818 -9.557 1.00 1.00 C ATOM 1200 C ALA A 80 81.284 -19.562 -11.062 1.00 1.00 C ATOM 1201 O ALA A 80 82.211 -20.051 -11.708 1.00 1.00 O ATOM 1202 CB ALA A 80 80.771 -21.265 -9.304 1.00 1.00 C ATOM 0 H ALA A 80 79.379 -19.306 -8.671 1.00 1.00 H new ATOM 0 HA ALA A 80 82.195 -19.637 -9.150 1.00 1.00 H new ATOM 0 HB1 ALA A 80 81.451 -21.942 -9.821 1.00 1.00 H new ATOM 0 HB2 ALA A 80 80.798 -21.471 -8.234 1.00 1.00 H new ATOM 0 HB3 ALA A 80 79.758 -21.414 -9.677 1.00 1.00 H new ATOM 1208 N GLU A 81 80.316 -18.836 -11.649 1.00 1.00 N ATOM 1209 CA GLU A 81 80.353 -18.616 -13.096 1.00 1.00 C ATOM 1210 C GLU A 81 81.040 -17.299 -13.491 1.00 1.00 C ATOM 1211 O GLU A 81 82.132 -17.348 -14.059 1.00 1.00 O ATOM 1212 CB GLU A 81 78.917 -18.721 -13.684 1.00 1.00 C ATOM 1213 CG GLU A 81 78.131 -17.415 -13.524 1.00 1.00 C ATOM 1214 CD GLU A 81 76.640 -17.654 -13.768 1.00 1.00 C ATOM 1215 OE1 GLU A 81 76.183 -18.752 -13.505 1.00 1.00 O ATOM 1216 OE2 GLU A 81 75.981 -16.732 -14.225 1.00 1.00 O ATOM 0 H GLU A 81 79.529 -18.408 -11.162 1.00 1.00 H new ATOM 0 HA GLU A 81 80.970 -19.402 -13.531 1.00 1.00 H new ATOM 0 HB2 GLU A 81 78.977 -18.980 -14.741 1.00 1.00 H new ATOM 0 HB3 GLU A 81 78.381 -19.529 -13.187 1.00 1.00 H new ATOM 0 HG2 GLU A 81 78.282 -17.013 -12.522 1.00 1.00 H new ATOM 0 HG3 GLU A 81 78.506 -16.670 -14.226 1.00 1.00 H new ATOM 1223 N ASP A 82 80.441 -16.121 -13.239 1.00 1.00 N ATOM 1224 CA ASP A 82 81.068 -14.858 -13.639 1.00 1.00 C ATOM 1225 C ASP A 82 81.983 -14.227 -12.577 1.00 1.00 C ATOM 1226 O ASP A 82 82.736 -13.314 -12.897 1.00 1.00 O ATOM 1227 CB ASP A 82 80.004 -13.854 -14.083 1.00 1.00 C ATOM 1228 CG ASP A 82 80.657 -12.757 -14.924 1.00 1.00 C ATOM 1229 OD1 ASP A 82 81.120 -13.069 -16.012 1.00 1.00 O ATOM 1230 OD2 ASP A 82 80.700 -11.629 -14.464 1.00 1.00 O ATOM 0 H ASP A 82 79.541 -16.022 -12.769 1.00 1.00 H new ATOM 0 HA ASP A 82 81.722 -15.112 -14.473 1.00 1.00 H new ATOM 0 HB2 ASP A 82 79.231 -14.359 -14.662 1.00 1.00 H new ATOM 0 HB3 ASP A 82 79.515 -13.417 -13.212 1.00 1.00 H new ATOM 1235 N ALA A 83 81.930 -14.668 -11.319 1.00 1.00 N ATOM 1236 CA ALA A 83 82.802 -14.022 -10.335 1.00 1.00 C ATOM 1237 C ALA A 83 84.255 -13.997 -10.815 1.00 1.00 C ATOM 1238 O ALA A 83 84.904 -12.968 -10.730 1.00 1.00 O ATOM 1239 CB ALA A 83 82.726 -14.675 -8.961 1.00 1.00 C ATOM 0 H ALA A 83 81.335 -15.420 -10.971 1.00 1.00 H new ATOM 0 HA ALA A 83 82.437 -13.000 -10.235 1.00 1.00 H new ATOM 0 HB1 ALA A 83 83.393 -14.155 -8.273 1.00 1.00 H new ATOM 0 HB2 ALA A 83 81.704 -14.619 -8.587 1.00 1.00 H new ATOM 0 HB3 ALA A 83 83.027 -15.720 -9.038 1.00 1.00 H new ATOM 1245 N LEU A 84 84.780 -15.108 -11.324 1.00 1.00 N ATOM 1246 CA LEU A 84 86.172 -15.143 -11.792 1.00 1.00 C ATOM 1247 C LEU A 84 86.556 -13.844 -12.517 1.00 1.00 C ATOM 1248 O LEU A 84 87.726 -13.455 -12.543 1.00 1.00 O ATOM 1249 CB LEU A 84 86.349 -16.424 -12.679 1.00 1.00 C ATOM 1250 CG LEU A 84 86.687 -16.123 -14.164 1.00 1.00 C ATOM 1251 CD1 LEU A 84 88.192 -15.840 -14.330 1.00 1.00 C ATOM 1252 CD2 LEU A 84 86.310 -17.345 -15.023 1.00 1.00 C ATOM 0 H LEU A 84 84.274 -15.988 -11.424 1.00 1.00 H new ATOM 0 HA LEU A 84 86.859 -15.205 -10.948 1.00 1.00 H new ATOM 0 HB2 LEU A 84 87.141 -17.040 -12.255 1.00 1.00 H new ATOM 0 HB3 LEU A 84 85.432 -17.011 -12.638 1.00 1.00 H new ATOM 0 HG LEU A 84 86.125 -15.245 -14.482 1.00 1.00 H new ATOM 0 HD11 LEU A 84 88.410 -15.631 -15.377 1.00 1.00 H new ATOM 0 HD12 LEU A 84 88.469 -14.978 -13.723 1.00 1.00 H new ATOM 0 HD13 LEU A 84 88.764 -16.710 -14.007 1.00 1.00 H new ATOM 0 HD21 LEU A 84 86.544 -17.142 -16.068 1.00 1.00 H new ATOM 0 HD22 LEU A 84 86.875 -18.214 -14.687 1.00 1.00 H new ATOM 0 HD23 LEU A 84 85.243 -17.545 -14.923 1.00 1.00 H new ATOM 1264 N ILE A 85 85.564 -13.161 -13.079 1.00 1.00 N ATOM 1265 CA ILE A 85 85.822 -11.899 -13.778 1.00 1.00 C ATOM 1266 C ILE A 85 85.687 -10.719 -12.809 1.00 1.00 C ATOM 1267 O ILE A 85 86.424 -9.736 -12.924 1.00 1.00 O ATOM 1268 CB ILE A 85 84.887 -11.748 -15.011 1.00 1.00 C ATOM 1269 CG1 ILE A 85 85.638 -11.045 -16.155 1.00 1.00 C ATOM 1270 CG2 ILE A 85 83.628 -10.932 -14.676 1.00 1.00 C ATOM 1271 CD1 ILE A 85 84.714 -10.914 -17.367 1.00 1.00 C ATOM 0 H ILE A 85 84.586 -13.451 -13.067 1.00 1.00 H new ATOM 0 HA ILE A 85 86.846 -11.906 -14.152 1.00 1.00 H new ATOM 0 HB ILE A 85 84.583 -12.750 -15.312 1.00 1.00 H new ATOM 0 HG12 ILE A 85 85.974 -10.060 -15.832 1.00 1.00 H new ATOM 0 HG13 ILE A 85 86.529 -11.613 -16.423 1.00 1.00 H new ATOM 0 HG21 ILE A 85 83.001 -10.849 -15.564 1.00 1.00 H new ATOM 0 HG22 ILE A 85 83.071 -11.432 -13.883 1.00 1.00 H new ATOM 0 HG23 ILE A 85 83.918 -9.936 -14.343 1.00 1.00 H new ATOM 0 HD11 ILE A 85 85.246 -10.416 -18.178 1.00 1.00 H new ATOM 0 HD12 ILE A 85 84.400 -11.905 -17.694 1.00 1.00 H new ATOM 0 HD13 ILE A 85 83.837 -10.327 -17.094 1.00 1.00 H new ATOM 1283 N ALA A 86 84.762 -10.808 -11.835 1.00 1.00 N ATOM 1284 CA ALA A 86 84.582 -9.733 -10.852 1.00 1.00 C ATOM 1285 C ALA A 86 85.366 -10.009 -9.566 1.00 1.00 C ATOM 1286 O ALA A 86 85.767 -9.099 -8.882 1.00 1.00 O ATOM 1287 CB ALA A 86 83.098 -9.573 -10.513 1.00 1.00 C ATOM 0 H ALA A 86 84.137 -11.604 -11.711 1.00 1.00 H new ATOM 0 HA ALA A 86 84.963 -8.814 -11.297 1.00 1.00 H new ATOM 0 HB1 ALA A 86 82.976 -8.773 -9.783 1.00 1.00 H new ATOM 0 HB2 ALA A 86 82.543 -9.326 -11.418 1.00 1.00 H new ATOM 0 HB3 ALA A 86 82.717 -10.506 -10.096 1.00 1.00 H new ATOM 1293 N GLU A 87 85.578 -11.267 -9.225 1.00 1.00 N ATOM 1294 CA GLU A 87 86.306 -11.586 -8.000 1.00 1.00 C ATOM 1295 C GLU A 87 87.735 -11.022 -8.073 1.00 1.00 C ATOM 1296 O GLU A 87 88.396 -10.845 -7.045 1.00 1.00 O ATOM 1297 CB GLU A 87 86.257 -13.121 -7.751 1.00 1.00 C ATOM 1298 CG GLU A 87 87.627 -13.787 -7.933 1.00 1.00 C ATOM 1299 CD GLU A 87 88.164 -13.510 -9.335 1.00 1.00 C ATOM 1300 OE1 GLU A 87 87.430 -12.946 -10.131 1.00 1.00 O ATOM 1301 OE2 GLU A 87 89.307 -13.853 -9.585 1.00 1.00 O ATOM 0 H GLU A 87 85.265 -12.074 -9.764 1.00 1.00 H new ATOM 0 HA GLU A 87 85.834 -11.111 -7.140 1.00 1.00 H new ATOM 0 HB2 GLU A 87 85.895 -13.311 -6.741 1.00 1.00 H new ATOM 0 HB3 GLU A 87 85.541 -13.575 -8.437 1.00 1.00 H new ATOM 0 HG2 GLU A 87 88.326 -13.409 -7.187 1.00 1.00 H new ATOM 0 HG3 GLU A 87 87.541 -14.862 -7.774 1.00 1.00 H new ATOM 1308 N ALA A 88 88.181 -10.690 -9.292 1.00 1.00 N ATOM 1309 CA ALA A 88 89.513 -10.081 -9.481 1.00 1.00 C ATOM 1310 C ALA A 88 89.410 -8.639 -8.996 1.00 1.00 C ATOM 1311 O ALA A 88 90.381 -7.895 -8.864 1.00 1.00 O ATOM 1312 CB ALA A 88 89.932 -10.121 -10.950 1.00 1.00 C ATOM 0 H ALA A 88 87.651 -10.828 -10.153 1.00 1.00 H new ATOM 0 HA ALA A 88 90.269 -10.632 -8.921 1.00 1.00 H new ATOM 0 HB1 ALA A 88 90.916 -9.666 -11.060 1.00 1.00 H new ATOM 0 HB2 ALA A 88 89.971 -11.156 -11.289 1.00 1.00 H new ATOM 0 HB3 ALA A 88 89.208 -9.569 -11.550 1.00 1.00 H new ATOM 1318 N VAL A 89 88.173 -8.345 -8.656 1.00 1.00 N ATOM 1319 CA VAL A 89 87.819 -7.073 -8.082 1.00 1.00 C ATOM 1320 C VAL A 89 88.153 -7.112 -6.602 1.00 1.00 C ATOM 1321 O VAL A 89 87.419 -6.543 -5.798 1.00 1.00 O ATOM 1322 CB VAL A 89 86.370 -6.617 -8.338 1.00 1.00 C ATOM 1323 CG1 VAL A 89 86.168 -5.167 -7.813 1.00 1.00 C ATOM 1324 CG2 VAL A 89 86.130 -6.635 -9.857 1.00 1.00 C ATOM 0 H VAL A 89 87.387 -8.985 -8.772 1.00 1.00 H new ATOM 0 HA VAL A 89 88.409 -6.311 -8.592 1.00 1.00 H new ATOM 0 HB VAL A 89 85.675 -7.280 -7.824 1.00 1.00 H new ATOM 0 HG11 VAL A 89 85.141 -4.853 -7.998 1.00 1.00 H new ATOM 0 HG12 VAL A 89 86.369 -5.136 -6.742 1.00 1.00 H new ATOM 0 HG13 VAL A 89 86.852 -4.494 -8.330 1.00 1.00 H new ATOM 0 HG21 VAL A 89 85.109 -6.316 -10.068 1.00 1.00 H new ATOM 0 HG22 VAL A 89 86.830 -5.957 -10.344 1.00 1.00 H new ATOM 0 HG23 VAL A 89 86.280 -7.646 -10.237 1.00 1.00 H new ATOM 1334 N GLY A 90 89.304 -7.733 -6.193 1.00 1.00 N ATOM 1335 CA GLY A 90 89.685 -7.741 -4.798 1.00 1.00 C ATOM 1336 C GLY A 90 89.801 -6.333 -4.235 1.00 1.00 C ATOM 1337 O GLY A 90 89.510 -6.171 -3.056 1.00 1.00 O ATOM 0 H GLY A 90 89.951 -8.216 -6.816 1.00 1.00 H new ATOM 0 HA2 GLY A 90 88.948 -8.302 -4.223 1.00 1.00 H new ATOM 0 HA3 GLY A 90 90.638 -8.257 -4.685 1.00 1.00 H new ATOM 1341 N PRO A 91 90.138 -5.284 -5.014 1.00 1.00 N ATOM 1342 CA PRO A 91 90.122 -3.881 -4.490 1.00 1.00 C ATOM 1343 C PRO A 91 88.937 -3.641 -3.545 1.00 1.00 C ATOM 1344 O PRO A 91 88.786 -2.560 -2.979 1.00 1.00 O ATOM 1345 CB PRO A 91 89.993 -3.011 -5.753 1.00 1.00 C ATOM 1346 CG PRO A 91 90.554 -3.831 -6.885 1.00 1.00 C ATOM 1347 CD PRO A 91 90.662 -5.294 -6.407 1.00 1.00 C ATOM 0 HA PRO A 91 91.013 -3.654 -3.905 1.00 1.00 H new ATOM 0 HB2 PRO A 91 88.952 -2.749 -5.941 1.00 1.00 H new ATOM 0 HB3 PRO A 91 90.542 -2.076 -5.640 1.00 1.00 H new ATOM 0 HG2 PRO A 91 89.909 -3.763 -7.761 1.00 1.00 H new ATOM 0 HG3 PRO A 91 91.533 -3.453 -7.180 1.00 1.00 H new ATOM 0 HD2 PRO A 91 90.080 -5.961 -7.043 1.00 1.00 H new ATOM 0 HD3 PRO A 91 91.694 -5.644 -6.438 1.00 1.00 H new ATOM 1355 N HIS A 92 88.103 -4.664 -3.374 1.00 1.00 N ATOM 1356 CA HIS A 92 86.968 -4.574 -2.506 1.00 1.00 C ATOM 1357 C HIS A 92 87.468 -4.034 -1.177 1.00 1.00 C ATOM 1358 O HIS A 92 86.756 -3.298 -0.520 1.00 1.00 O ATOM 1359 CB HIS A 92 86.356 -5.981 -2.317 1.00 1.00 C ATOM 1360 CG HIS A 92 87.117 -6.751 -1.262 1.00 1.00 C ATOM 1361 ND1 HIS A 92 88.194 -7.569 -1.569 1.00 1.00 N ATOM 1362 CD2 HIS A 92 86.979 -6.814 0.103 1.00 1.00 C ATOM 1363 CE1 HIS A 92 88.658 -8.082 -0.414 1.00 1.00 C ATOM 1364 NE2 HIS A 92 87.953 -7.653 0.636 1.00 1.00 N ATOM 0 H HIS A 92 88.208 -5.567 -3.837 1.00 1.00 H new ATOM 0 HA HIS A 92 86.200 -3.921 -2.920 1.00 1.00 H new ATOM 0 HB2 HIS A 92 85.309 -5.893 -2.027 1.00 1.00 H new ATOM 0 HB3 HIS A 92 86.381 -6.525 -3.261 1.00 1.00 H new ATOM 0 HD1 HIS A 92 88.567 -7.749 -2.501 1.00 1.00 H new ATOM 0 HD2 HIS A 92 86.228 -6.291 0.676 1.00 1.00 H new ATOM 0 HE1 HIS A 92 89.498 -8.758 -0.345 1.00 1.00 H new ATOM 1372 N LEU A 93 88.722 -4.344 -0.805 1.00 1.00 N ATOM 1373 CA LEU A 93 89.285 -3.794 0.416 1.00 1.00 C ATOM 1374 C LEU A 93 89.296 -2.277 0.258 1.00 1.00 C ATOM 1375 O LEU A 93 88.842 -1.531 1.113 1.00 1.00 O ATOM 1376 CB LEU A 93 90.720 -4.332 0.576 1.00 1.00 C ATOM 1377 CG LEU A 93 91.439 -3.671 1.788 1.00 1.00 C ATOM 1378 CD1 LEU A 93 92.071 -4.750 2.685 1.00 1.00 C ATOM 1379 CD2 LEU A 93 92.555 -2.734 1.293 1.00 1.00 C ATOM 0 H LEU A 93 89.345 -4.960 -1.327 1.00 1.00 H new ATOM 0 HA LEU A 93 88.707 -4.074 1.297 1.00 1.00 H new ATOM 0 HB2 LEU A 93 90.692 -5.413 0.712 1.00 1.00 H new ATOM 0 HB3 LEU A 93 91.287 -4.140 -0.335 1.00 1.00 H new ATOM 0 HG LEU A 93 90.700 -3.104 2.355 1.00 1.00 H new ATOM 0 HD11 LEU A 93 92.571 -4.275 3.529 1.00 1.00 H new ATOM 0 HD12 LEU A 93 91.293 -5.418 3.054 1.00 1.00 H new ATOM 0 HD13 LEU A 93 92.798 -5.322 2.109 1.00 1.00 H new ATOM 0 HD21 LEU A 93 93.052 -2.276 2.148 1.00 1.00 H new ATOM 0 HD22 LEU A 93 93.281 -3.306 0.715 1.00 1.00 H new ATOM 0 HD23 LEU A 93 92.124 -1.955 0.664 1.00 1.00 H new ATOM 1391 N ALA A 94 89.830 -1.827 -0.864 1.00 1.00 N ATOM 1392 CA ALA A 94 89.881 -0.387 -1.114 1.00 1.00 C ATOM 1393 C ALA A 94 88.464 0.169 -0.914 1.00 1.00 C ATOM 1394 O ALA A 94 88.247 1.070 -0.114 1.00 1.00 O ATOM 1395 CB ALA A 94 90.367 -0.091 -2.538 1.00 1.00 C ATOM 0 H ALA A 94 90.225 -2.413 -1.600 1.00 1.00 H new ATOM 0 HA ALA A 94 90.584 0.084 -0.426 1.00 1.00 H new ATOM 0 HB1 ALA A 94 90.395 0.987 -2.696 1.00 1.00 H new ATOM 0 HB2 ALA A 94 91.366 -0.504 -2.675 1.00 1.00 H new ATOM 0 HB3 ALA A 94 89.685 -0.545 -3.257 1.00 1.00 H new ATOM 1401 N ARG A 95 87.510 -0.406 -1.629 1.00 1.00 N ATOM 1402 CA ARG A 95 86.105 0.006 -1.508 1.00 1.00 C ATOM 1403 C ARG A 95 85.601 -0.289 -0.080 1.00 1.00 C ATOM 1404 O ARG A 95 84.694 0.375 0.436 1.00 1.00 O ATOM 1405 CB ARG A 95 85.233 -0.750 -2.540 1.00 1.00 C ATOM 1406 CG ARG A 95 85.076 0.055 -3.849 1.00 1.00 C ATOM 1407 CD ARG A 95 86.394 0.064 -4.642 1.00 1.00 C ATOM 1408 NE ARG A 95 86.497 1.306 -5.401 1.00 1.00 N ATOM 1409 CZ ARG A 95 87.676 1.851 -5.692 1.00 1.00 C ATOM 1410 NH1 ARG A 95 88.781 1.233 -5.373 1.00 1.00 N ATOM 1411 NH2 ARG A 95 87.727 2.999 -6.308 1.00 1.00 N ATOM 0 H ARG A 95 87.674 -1.157 -2.299 1.00 1.00 H new ATOM 0 HA ARG A 95 86.031 1.076 -1.705 1.00 1.00 H new ATOM 0 HB2 ARG A 95 85.684 -1.718 -2.759 1.00 1.00 H new ATOM 0 HB3 ARG A 95 84.250 -0.946 -2.112 1.00 1.00 H new ATOM 0 HG2 ARG A 95 84.283 -0.380 -4.457 1.00 1.00 H new ATOM 0 HG3 ARG A 95 84.777 1.078 -3.619 1.00 1.00 H new ATOM 0 HD2 ARG A 95 87.241 -0.030 -3.962 1.00 1.00 H new ATOM 0 HD3 ARG A 95 86.431 -0.791 -5.317 1.00 1.00 H new ATOM 0 HE ARG A 95 85.644 1.768 -5.716 1.00 1.00 H new ATOM 0 HH11 ARG A 95 88.742 0.330 -4.900 1.00 1.00 H new ATOM 0 HH12 ARG A 95 89.683 1.653 -5.597 1.00 1.00 H new ATOM 0 HH21 ARG A 95 86.864 3.478 -6.566 1.00 1.00 H new ATOM 0 HH22 ARG A 95 88.630 3.418 -6.532 1.00 1.00 H new ATOM 1425 N ALA A 96 86.177 -1.322 0.529 1.00 1.00 N ATOM 1426 CA ALA A 96 85.733 -1.723 1.883 1.00 1.00 C ATOM 1427 C ALA A 96 85.748 -0.475 2.735 1.00 1.00 C ATOM 1428 O ALA A 96 84.892 -0.274 3.547 1.00 1.00 O ATOM 1429 CB ALA A 96 86.601 -2.817 2.510 1.00 1.00 C ATOM 0 H ALA A 96 86.928 -1.887 0.133 1.00 1.00 H new ATOM 0 HA ALA A 96 84.736 -2.158 1.816 1.00 1.00 H new ATOM 0 HB1 ALA A 96 86.218 -3.062 3.501 1.00 1.00 H new ATOM 0 HB2 ALA A 96 86.575 -3.707 1.881 1.00 1.00 H new ATOM 0 HB3 ALA A 96 87.628 -2.462 2.595 1.00 1.00 H new ATOM 1435 N LEU A 97 86.802 0.282 2.559 1.00 1.00 N ATOM 1436 CA LEU A 97 87.001 1.503 3.357 1.00 1.00 C ATOM 1437 C LEU A 97 85.573 2.163 3.612 1.00 1.00 C ATOM 1438 O LEU A 97 85.291 2.717 4.684 1.00 1.00 O ATOM 1439 CB LEU A 97 88.018 2.450 2.671 1.00 1.00 C ATOM 1440 CG LEU A 97 87.350 3.593 1.869 1.00 1.00 C ATOM 1441 CD1 LEU A 97 87.070 4.803 2.791 1.00 1.00 C ATOM 1442 CD2 LEU A 97 88.293 4.028 0.722 1.00 1.00 C ATOM 0 H LEU A 97 87.539 0.091 1.880 1.00 1.00 H new ATOM 0 HA LEU A 97 87.442 1.273 4.327 1.00 1.00 H new ATOM 0 HB2 LEU A 97 88.670 2.882 3.430 1.00 1.00 H new ATOM 0 HB3 LEU A 97 88.651 1.868 2.001 1.00 1.00 H new ATOM 0 HG LEU A 97 86.405 3.236 1.459 1.00 1.00 H new ATOM 0 HD11 LEU A 97 86.600 5.599 2.214 1.00 1.00 H new ATOM 0 HD12 LEU A 97 86.404 4.499 3.598 1.00 1.00 H new ATOM 0 HD13 LEU A 97 88.008 5.165 3.211 1.00 1.00 H new ATOM 0 HD21 LEU A 97 87.827 4.833 0.154 1.00 1.00 H new ATOM 0 HD22 LEU A 97 89.237 4.378 1.140 1.00 1.00 H new ATOM 0 HD23 LEU A 97 88.480 3.180 0.063 1.00 1.00 H new ATOM 1454 N GLY A 98 84.618 1.824 2.716 1.00 1.00 N ATOM 1455 CA GLY A 98 83.185 2.162 2.923 1.00 1.00 C ATOM 1456 C GLY A 98 82.463 1.072 3.778 1.00 1.00 C ATOM 1457 O GLY A 98 81.812 1.337 4.813 1.00 1.00 O ATOM 0 H GLY A 98 84.808 1.321 1.849 1.00 1.00 H new ATOM 0 HA2 GLY A 98 83.105 3.129 3.420 1.00 1.00 H new ATOM 0 HA3 GLY A 98 82.688 2.258 1.957 1.00 1.00 H new ATOM 1461 N GLN A 99 82.647 -0.174 3.355 1.00 1.00 N ATOM 1462 CA GLN A 99 82.123 -1.336 4.028 1.00 1.00 C ATOM 1463 C GLN A 99 83.022 -1.572 5.247 1.00 1.00 C ATOM 1464 O GLN A 99 82.876 -2.543 5.982 1.00 1.00 O ATOM 1465 CB GLN A 99 82.038 -2.514 3.011 1.00 1.00 C ATOM 1466 CG GLN A 99 82.876 -3.721 3.417 1.00 1.00 C ATOM 1467 CD GLN A 99 82.871 -4.731 2.268 1.00 1.00 C ATOM 1468 OE1 GLN A 99 83.720 -4.661 1.377 1.00 1.00 O ATOM 1469 NE2 GLN A 99 81.954 -5.663 2.222 1.00 1.00 N ATOM 0 H GLN A 99 83.178 -0.399 2.514 1.00 1.00 H new ATOM 0 HA GLN A 99 81.104 -1.218 4.397 1.00 1.00 H new ATOM 0 HB2 GLN A 99 80.997 -2.821 2.907 1.00 1.00 H new ATOM 0 HB3 GLN A 99 82.367 -2.165 2.032 1.00 1.00 H new ATOM 0 HG2 GLN A 99 83.896 -3.413 3.645 1.00 1.00 H new ATOM 0 HG3 GLN A 99 82.471 -4.175 4.321 1.00 1.00 H new ATOM 0 HE21 GLN A 99 81.250 -5.723 2.958 1.00 1.00 H new ATOM 0 HE22 GLN A 99 81.943 -6.330 1.450 1.00 1.00 H new ATOM 1478 N ILE A 100 83.922 -0.588 5.448 1.00 1.00 N ATOM 1479 CA ILE A 100 84.831 -0.600 6.587 1.00 1.00 C ATOM 1480 C ILE A 100 83.978 -0.643 7.797 1.00 1.00 C ATOM 1481 O ILE A 100 84.120 -1.530 8.619 1.00 1.00 O ATOM 1482 CB ILE A 100 85.779 0.615 6.685 1.00 1.00 C ATOM 1483 CG1 ILE A 100 86.880 0.322 7.732 1.00 1.00 C ATOM 1484 CG2 ILE A 100 85.041 1.897 7.113 1.00 1.00 C ATOM 1485 CD1 ILE A 100 88.051 1.296 7.550 1.00 1.00 C ATOM 0 H ILE A 100 84.030 0.218 4.832 1.00 1.00 H new ATOM 0 HA ILE A 100 85.490 -1.461 6.476 1.00 1.00 H new ATOM 0 HB ILE A 100 86.203 0.775 5.694 1.00 1.00 H new ATOM 0 HG12 ILE A 100 86.471 0.416 8.738 1.00 1.00 H new ATOM 0 HG13 ILE A 100 87.230 -0.705 7.625 1.00 1.00 H new ATOM 0 HG21 ILE A 100 85.749 2.724 7.168 1.00 1.00 H new ATOM 0 HG22 ILE A 100 84.266 2.131 6.383 1.00 1.00 H new ATOM 0 HG23 ILE A 100 84.585 1.745 8.091 1.00 1.00 H new ATOM 0 HD11 ILE A 100 88.821 1.082 8.291 1.00 1.00 H new ATOM 0 HD12 ILE A 100 88.468 1.180 6.550 1.00 1.00 H new ATOM 0 HD13 ILE A 100 87.697 2.319 7.679 1.00 1.00 H new ATOM 1497 N VAL A 101 83.067 0.311 7.926 1.00 1.00 N ATOM 1498 CA VAL A 101 82.195 0.280 9.087 1.00 1.00 C ATOM 1499 C VAL A 101 81.470 -1.055 9.090 1.00 1.00 C ATOM 1500 O VAL A 101 81.549 -1.803 10.048 1.00 1.00 O ATOM 1501 CB VAL A 101 81.199 1.453 9.059 1.00 1.00 C ATOM 1502 CG1 VAL A 101 80.386 1.453 7.756 1.00 1.00 C ATOM 1503 CG2 VAL A 101 80.243 1.333 10.249 1.00 1.00 C ATOM 0 H VAL A 101 82.916 1.081 7.274 1.00 1.00 H new ATOM 0 HA VAL A 101 82.781 0.387 10.000 1.00 1.00 H new ATOM 0 HB VAL A 101 81.761 2.385 9.118 1.00 1.00 H new ATOM 0 HG11 VAL A 101 79.690 2.292 7.762 1.00 1.00 H new ATOM 0 HG12 VAL A 101 81.061 1.548 6.906 1.00 1.00 H new ATOM 0 HG13 VAL A 101 79.829 0.520 7.675 1.00 1.00 H new ATOM 0 HG21 VAL A 101 79.536 2.162 10.233 1.00 1.00 H new ATOM 0 HG22 VAL A 101 79.699 0.391 10.185 1.00 1.00 H new ATOM 0 HG23 VAL A 101 80.813 1.360 11.178 1.00 1.00 H new ATOM 1513 N CYS A 102 80.715 -1.318 8.040 1.00 1.00 N ATOM 1514 CA CYS A 102 79.934 -2.541 7.970 1.00 1.00 C ATOM 1515 C CYS A 102 80.777 -3.798 8.226 1.00 1.00 C ATOM 1516 O CYS A 102 80.262 -4.782 8.729 1.00 1.00 O ATOM 1517 CB CYS A 102 79.289 -2.620 6.584 1.00 1.00 C ATOM 1518 SG CYS A 102 78.038 -3.920 6.570 1.00 1.00 S ATOM 0 H CYS A 102 80.625 -0.707 7.228 1.00 1.00 H new ATOM 0 HA CYS A 102 79.178 -2.508 8.755 1.00 1.00 H new ATOM 0 HB2 CYS A 102 78.835 -1.662 6.328 1.00 1.00 H new ATOM 0 HB3 CYS A 102 80.049 -2.825 5.830 1.00 1.00 H new ATOM 1523 N ARG A 103 82.070 -3.692 7.934 1.00 1.00 N ATOM 1524 CA ARG A 103 83.051 -4.796 8.134 1.00 1.00 C ATOM 1525 C ARG A 103 83.628 -4.823 9.550 1.00 1.00 C ATOM 1526 O ARG A 103 83.653 -5.841 10.239 1.00 1.00 O ATOM 1527 CB ARG A 103 84.190 -4.613 7.114 1.00 1.00 C ATOM 1528 CG ARG A 103 85.392 -5.510 7.435 1.00 1.00 C ATOM 1529 CD ARG A 103 86.353 -5.496 6.246 1.00 1.00 C ATOM 1530 NE ARG A 103 87.474 -6.396 6.495 1.00 1.00 N ATOM 1531 CZ ARG A 103 88.181 -6.908 5.491 1.00 1.00 C ATOM 1532 NH1 ARG A 103 87.869 -6.610 4.260 1.00 1.00 N ATOM 1533 NH2 ARG A 103 89.182 -7.708 5.739 1.00 1.00 N ATOM 0 H ARG A 103 82.485 -2.843 7.550 1.00 1.00 H new ATOM 0 HA ARG A 103 82.534 -5.745 7.988 1.00 1.00 H new ATOM 0 HB2 ARG A 103 83.822 -4.842 6.114 1.00 1.00 H new ATOM 0 HB3 ARG A 103 84.507 -3.570 7.106 1.00 1.00 H new ATOM 0 HG2 ARG A 103 85.898 -5.155 8.333 1.00 1.00 H new ATOM 0 HG3 ARG A 103 85.059 -6.528 7.638 1.00 1.00 H new ATOM 0 HD2 ARG A 103 85.828 -5.799 5.341 1.00 1.00 H new ATOM 0 HD3 ARG A 103 86.720 -4.484 6.077 1.00 1.00 H new ATOM 0 HE ARG A 103 87.720 -6.637 7.455 1.00 1.00 H new ATOM 0 HH11 ARG A 103 87.085 -5.986 4.069 1.00 1.00 H new ATOM 0 HH12 ARG A 103 88.409 -7.001 3.488 1.00 1.00 H new ATOM 0 HH21 ARG A 103 89.422 -7.941 6.703 1.00 1.00 H new ATOM 0 HH22 ARG A 103 89.724 -8.101 4.969 1.00 1.00 H new ATOM 1547 N TYR A 104 84.052 -3.660 9.929 1.00 1.00 N ATOM 1548 CA TYR A 104 84.631 -3.320 11.220 1.00 1.00 C ATOM 1549 C TYR A 104 83.517 -2.728 12.084 1.00 1.00 C ATOM 1550 O TYR A 104 83.779 -2.000 13.042 1.00 1.00 O ATOM 1551 CB TYR A 104 85.878 -2.394 11.050 1.00 1.00 C ATOM 1552 CG TYR A 104 85.783 -1.142 11.899 1.00 1.00 C ATOM 1553 CD1 TYR A 104 86.229 -1.141 13.230 1.00 1.00 C ATOM 1554 CD2 TYR A 104 85.215 0.003 11.356 1.00 1.00 C ATOM 1555 CE1 TYR A 104 86.105 0.021 14.006 1.00 1.00 C ATOM 1556 CE2 TYR A 104 85.082 1.161 12.126 1.00 1.00 C ATOM 1557 CZ TYR A 104 85.527 1.172 13.451 1.00 1.00 C ATOM 1558 OH TYR A 104 85.391 2.315 14.215 1.00 1.00 O ATOM 0 H TYR A 104 84.006 -2.852 9.308 1.00 1.00 H new ATOM 0 HA TYR A 104 85.019 -4.202 11.729 1.00 1.00 H new ATOM 0 HB2 TYR A 104 86.778 -2.946 11.320 1.00 1.00 H new ATOM 0 HB3 TYR A 104 85.979 -2.113 10.002 1.00 1.00 H new ATOM 0 HD1 TYR A 104 86.666 -2.032 13.655 1.00 1.00 H new ATOM 0 HD2 TYR A 104 84.874 -0.002 10.331 1.00 1.00 H new ATOM 0 HE1 TYR A 104 86.454 0.029 15.028 1.00 1.00 H new ATOM 0 HE2 TYR A 104 84.636 2.047 11.698 1.00 1.00 H new ATOM 0 HH TYR A 104 84.973 3.020 13.678 1.00 1.00 H new ATOM 1568 N GLY A 105 82.255 -3.061 11.789 1.00 1.00 N ATOM 1569 CA GLY A 105 81.144 -2.561 12.568 1.00 1.00 C ATOM 1570 C GLY A 105 79.907 -3.402 12.231 1.00 1.00 C ATOM 1571 O GLY A 105 79.697 -4.470 12.798 1.00 1.00 O ATOM 0 H GLY A 105 81.990 -3.673 11.017 1.00 1.00 H new ATOM 0 HA2 GLY A 105 81.368 -2.623 13.633 1.00 1.00 H new ATOM 0 HA3 GLY A 105 80.963 -1.510 12.341 1.00 1.00 H new ATOM 1575 N ALA A 106 79.080 -2.890 11.315 1.00 1.00 N ATOM 1576 CA ALA A 106 77.845 -3.553 10.898 1.00 1.00 C ATOM 1577 C ALA A 106 76.801 -3.569 12.022 1.00 1.00 C ATOM 1578 O ALA A 106 76.271 -4.625 12.366 1.00 1.00 O ATOM 1579 CB ALA A 106 78.134 -4.995 10.399 1.00 1.00 C ATOM 0 H ALA A 106 79.250 -2.002 10.842 1.00 1.00 H new ATOM 0 HA ALA A 106 77.430 -2.977 10.071 1.00 1.00 H new ATOM 0 HB1 ALA A 106 77.201 -5.468 10.094 1.00 1.00 H new ATOM 0 HB2 ALA A 106 78.816 -4.956 9.549 1.00 1.00 H new ATOM 0 HB3 ALA A 106 78.589 -5.574 11.203 1.00 1.00 H new ATOM 1585 N THR A 107 76.434 -2.412 12.578 1.00 1.00 N ATOM 1586 CA THR A 107 75.397 -2.415 13.599 1.00 1.00 C ATOM 1587 C THR A 107 74.064 -2.488 12.884 1.00 1.00 C ATOM 1588 O THR A 107 73.001 -2.419 13.503 1.00 1.00 O ATOM 1589 CB THR A 107 75.448 -1.138 14.457 1.00 1.00 C ATOM 1590 OG1 THR A 107 76.729 -1.014 15.056 1.00 1.00 O ATOM 1591 CG2 THR A 107 74.378 -1.201 15.561 1.00 1.00 C ATOM 0 H THR A 107 76.824 -1.498 12.348 1.00 1.00 H new ATOM 0 HA THR A 107 75.543 -3.264 14.267 1.00 1.00 H new ATOM 0 HB THR A 107 75.257 -0.277 13.817 1.00 1.00 H new ATOM 0 HG1 THR A 107 76.758 -0.199 15.600 1.00 1.00 H new ATOM 0 HG21 THR A 107 74.422 -0.293 16.163 1.00 1.00 H new ATOM 0 HG22 THR A 107 73.391 -1.288 15.107 1.00 1.00 H new ATOM 0 HG23 THR A 107 74.562 -2.067 16.197 1.00 1.00 H new ATOM 1599 N VAL A 108 74.128 -2.659 11.561 1.00 1.00 N ATOM 1600 CA VAL A 108 72.915 -2.772 10.767 1.00 1.00 C ATOM 1601 C VAL A 108 72.406 -4.206 10.774 1.00 1.00 C ATOM 1602 O VAL A 108 71.241 -4.437 11.097 1.00 1.00 O ATOM 1603 CB VAL A 108 73.125 -2.284 9.332 1.00 1.00 C ATOM 1604 CG1 VAL A 108 73.347 -0.769 9.344 1.00 1.00 C ATOM 1605 CG2 VAL A 108 74.333 -2.982 8.697 1.00 1.00 C ATOM 0 H VAL A 108 74.996 -2.721 11.029 1.00 1.00 H new ATOM 0 HA VAL A 108 72.164 -2.128 11.224 1.00 1.00 H new ATOM 0 HB VAL A 108 72.241 -2.523 8.741 1.00 1.00 H new ATOM 0 HG11 VAL A 108 73.497 -0.415 8.324 1.00 1.00 H new ATOM 0 HG12 VAL A 108 72.475 -0.277 9.774 1.00 1.00 H new ATOM 0 HG13 VAL A 108 74.227 -0.535 9.943 1.00 1.00 H new ATOM 0 HG21 VAL A 108 74.466 -2.622 7.677 1.00 1.00 H new ATOM 0 HG22 VAL A 108 75.228 -2.762 9.279 1.00 1.00 H new ATOM 0 HG23 VAL A 108 74.165 -4.059 8.683 1.00 1.00 H new ATOM 1615 N ILE A 109 73.241 -5.197 10.408 1.00 1.00 N ATOM 1616 CA ILE A 109 72.818 -6.589 10.380 1.00 1.00 C ATOM 1617 C ILE A 109 71.961 -7.022 11.567 1.00 1.00 C ATOM 1618 O ILE A 109 70.913 -7.620 11.353 1.00 1.00 O ATOM 1619 CB ILE A 109 74.090 -7.464 10.297 1.00 1.00 C ATOM 1620 CG1 ILE A 109 74.727 -7.281 8.910 1.00 1.00 C ATOM 1621 CG2 ILE A 109 73.776 -8.957 10.512 1.00 1.00 C ATOM 1622 CD1 ILE A 109 76.137 -7.887 8.874 1.00 1.00 C ATOM 0 H ILE A 109 74.211 -5.048 10.129 1.00 1.00 H new ATOM 0 HA ILE A 109 72.172 -6.714 9.511 1.00 1.00 H new ATOM 0 HB ILE A 109 74.772 -7.148 11.087 1.00 1.00 H new ATOM 0 HG12 ILE A 109 74.103 -7.755 8.153 1.00 1.00 H new ATOM 0 HG13 ILE A 109 74.776 -6.220 8.664 1.00 1.00 H new ATOM 0 HG21 ILE A 109 74.697 -9.536 10.446 1.00 1.00 H new ATOM 0 HG22 ILE A 109 73.330 -9.097 11.497 1.00 1.00 H new ATOM 0 HG23 ILE A 109 73.079 -9.296 9.746 1.00 1.00 H new ATOM 0 HD11 ILE A 109 76.568 -7.746 7.883 1.00 1.00 H new ATOM 0 HD12 ILE A 109 76.764 -7.394 9.616 1.00 1.00 H new ATOM 0 HD13 ILE A 109 76.081 -8.952 9.097 1.00 1.00 H new ATOM 1634 N PRO A 110 72.362 -6.800 12.798 1.00 1.00 N ATOM 1635 CA PRO A 110 71.571 -7.289 13.950 1.00 1.00 C ATOM 1636 C PRO A 110 70.064 -7.121 13.763 1.00 1.00 C ATOM 1637 O PRO A 110 69.332 -8.091 13.955 1.00 1.00 O ATOM 1638 CB PRO A 110 72.106 -6.477 15.156 1.00 1.00 C ATOM 1639 CG PRO A 110 73.071 -5.482 14.573 1.00 1.00 C ATOM 1640 CD PRO A 110 73.561 -6.093 13.264 1.00 1.00 C ATOM 0 HA PRO A 110 71.690 -8.364 14.086 1.00 1.00 H new ATOM 0 HB2 PRO A 110 71.294 -5.975 15.682 1.00 1.00 H new ATOM 0 HB3 PRO A 110 72.600 -7.127 15.878 1.00 1.00 H new ATOM 0 HG2 PRO A 110 72.585 -4.522 14.398 1.00 1.00 H new ATOM 0 HG3 PRO A 110 73.902 -5.299 15.254 1.00 1.00 H new ATOM 0 HD2 PRO A 110 73.889 -5.333 12.555 1.00 1.00 H new ATOM 0 HD3 PRO A 110 74.401 -6.770 13.418 1.00 1.00 H new ATOM 1648 N ASN A 111 69.563 -5.933 13.423 1.00 1.00 N ATOM 1649 CA ASN A 111 68.114 -5.807 13.289 1.00 1.00 C ATOM 1650 C ASN A 111 67.623 -6.576 12.066 1.00 1.00 C ATOM 1651 O ASN A 111 66.953 -7.601 12.212 1.00 1.00 O ATOM 1652 CB ASN A 111 67.731 -4.321 13.188 1.00 1.00 C ATOM 1653 CG ASN A 111 68.826 -3.549 12.457 1.00 1.00 C ATOM 1654 OD1 ASN A 111 69.856 -3.222 13.048 1.00 1.00 O ATOM 1655 ND2 ASN A 111 68.664 -3.234 11.202 1.00 1.00 N ATOM 0 H ASN A 111 70.105 -5.087 13.244 1.00 1.00 H new ATOM 0 HA ASN A 111 67.635 -6.234 14.170 1.00 1.00 H new ATOM 0 HB2 ASN A 111 66.784 -4.216 12.658 1.00 1.00 H new ATOM 0 HB3 ASN A 111 67.585 -3.906 14.185 1.00 1.00 H new ATOM 0 HD21 ASN A 111 69.391 -2.716 10.708 1.00 1.00 H new ATOM 0 HD22 ASN A 111 67.810 -3.506 10.714 1.00 1.00 H new ATOM 1662 N ILE A 112 67.951 -6.110 10.860 1.00 1.00 N ATOM 1663 CA ILE A 112 67.504 -6.810 9.661 1.00 1.00 C ATOM 1664 C ILE A 112 67.774 -8.301 9.822 1.00 1.00 C ATOM 1665 O ILE A 112 67.109 -9.131 9.232 1.00 1.00 O ATOM 1666 CB ILE A 112 68.247 -6.237 8.409 1.00 1.00 C ATOM 1667 CG1 ILE A 112 68.534 -7.355 7.360 1.00 1.00 C ATOM 1668 CG2 ILE A 112 69.561 -5.563 8.843 1.00 1.00 C ATOM 1669 CD1 ILE A 112 69.776 -8.195 7.733 1.00 1.00 C ATOM 0 H ILE A 112 68.510 -5.273 10.691 1.00 1.00 H new ATOM 0 HA ILE A 112 66.433 -6.662 9.519 1.00 1.00 H new ATOM 0 HB ILE A 112 67.601 -5.496 7.939 1.00 1.00 H new ATOM 0 HG12 ILE A 112 67.665 -8.008 7.280 1.00 1.00 H new ATOM 0 HG13 ILE A 112 68.684 -6.902 6.380 1.00 1.00 H new ATOM 0 HG21 ILE A 112 70.073 -5.166 7.966 1.00 1.00 H new ATOM 0 HG22 ILE A 112 69.342 -4.749 9.534 1.00 1.00 H new ATOM 0 HG23 ILE A 112 70.200 -6.295 9.336 1.00 1.00 H new ATOM 0 HD11 ILE A 112 69.938 -8.961 6.975 1.00 1.00 H new ATOM 0 HD12 ILE A 112 70.651 -7.547 7.787 1.00 1.00 H new ATOM 0 HD13 ILE A 112 69.617 -8.670 8.701 1.00 1.00 H new ATOM 1681 N ASN A 113 68.774 -8.608 10.608 1.00 1.00 N ATOM 1682 CA ASN A 113 69.115 -10.018 10.769 1.00 1.00 C ATOM 1683 C ASN A 113 67.895 -10.739 11.296 1.00 1.00 C ATOM 1684 O ASN A 113 67.467 -11.736 10.717 1.00 1.00 O ATOM 1685 CB ASN A 113 70.320 -10.291 11.663 1.00 1.00 C ATOM 1686 CG ASN A 113 70.570 -11.795 11.678 1.00 1.00 C ATOM 1687 OD1 ASN A 113 70.540 -12.426 12.732 1.00 1.00 O ATOM 1688 ND2 ASN A 113 70.811 -12.412 10.546 1.00 1.00 N ATOM 0 H ASN A 113 69.349 -7.945 11.128 1.00 1.00 H new ATOM 0 HA ASN A 113 69.413 -10.387 9.788 1.00 1.00 H new ATOM 0 HB2 ASN A 113 71.198 -9.763 11.290 1.00 1.00 H new ATOM 0 HB3 ASN A 113 70.134 -9.926 12.673 1.00 1.00 H new ATOM 0 HD21 ASN A 113 70.974 -13.419 10.539 1.00 1.00 H new ATOM 0 HD22 ASN A 113 70.835 -11.885 9.673 1.00 1.00 H new ATOM 1695 N ALA A 114 67.336 -10.273 12.409 1.00 1.00 N ATOM 1696 CA ALA A 114 66.184 -10.932 12.985 1.00 1.00 C ATOM 1697 C ALA A 114 64.994 -11.003 12.030 1.00 1.00 C ATOM 1698 O ALA A 114 64.239 -11.971 12.082 1.00 1.00 O ATOM 1699 CB ALA A 114 65.758 -10.224 14.273 1.00 1.00 C ATOM 0 H ALA A 114 67.662 -9.452 12.919 1.00 1.00 H new ATOM 0 HA ALA A 114 66.491 -11.956 13.198 1.00 1.00 H new ATOM 0 HB1 ALA A 114 64.890 -10.730 14.696 1.00 1.00 H new ATOM 0 HB2 ALA A 114 66.578 -10.249 14.990 1.00 1.00 H new ATOM 0 HB3 ALA A 114 65.502 -9.188 14.051 1.00 1.00 H new ATOM 1705 N ALA A 115 64.767 -10.013 11.160 1.00 1.00 N ATOM 1706 CA ALA A 115 63.630 -10.111 10.241 1.00 1.00 C ATOM 1707 C ALA A 115 63.995 -10.955 9.009 1.00 1.00 C ATOM 1708 O ALA A 115 63.270 -11.851 8.626 1.00 1.00 O ATOM 1709 CB ALA A 115 63.184 -8.714 9.796 1.00 1.00 C ATOM 0 H ALA A 115 65.330 -9.167 11.073 1.00 1.00 H new ATOM 0 HA ALA A 115 62.810 -10.598 10.768 1.00 1.00 H new ATOM 0 HB1 ALA A 115 62.339 -8.802 9.114 1.00 1.00 H new ATOM 0 HB2 ALA A 115 62.887 -8.132 10.668 1.00 1.00 H new ATOM 0 HB3 ALA A 115 64.009 -8.213 9.289 1.00 1.00 H new ATOM 1715 N ILE A 116 65.136 -10.622 8.405 1.00 1.00 N ATOM 1716 CA ILE A 116 65.574 -11.365 7.199 1.00 1.00 C ATOM 1717 C ILE A 116 65.518 -12.862 7.538 1.00 1.00 C ATOM 1718 O ILE A 116 64.890 -13.666 6.853 1.00 1.00 O ATOM 1719 CB ILE A 116 66.993 -10.944 6.675 1.00 1.00 C ATOM 1720 CG1 ILE A 116 66.823 -9.988 5.463 1.00 1.00 C ATOM 1721 CG2 ILE A 116 67.826 -12.174 6.235 1.00 1.00 C ATOM 1722 CD1 ILE A 116 68.182 -9.577 4.854 1.00 1.00 C ATOM 0 H ILE A 116 65.760 -9.874 8.707 1.00 1.00 H new ATOM 0 HA ILE A 116 64.902 -11.124 6.376 1.00 1.00 H new ATOM 0 HB ILE A 116 67.522 -10.447 7.488 1.00 1.00 H new ATOM 0 HG12 ILE A 116 66.216 -10.475 4.700 1.00 1.00 H new ATOM 0 HG13 ILE A 116 66.282 -9.096 5.778 1.00 1.00 H new ATOM 0 HG21 ILE A 116 68.802 -11.844 5.878 1.00 1.00 H new ATOM 0 HG22 ILE A 116 67.958 -12.846 7.083 1.00 1.00 H new ATOM 0 HG23 ILE A 116 67.305 -12.698 5.434 1.00 1.00 H new ATOM 0 HD11 ILE A 116 68.015 -8.909 4.009 1.00 1.00 H new ATOM 0 HD12 ILE A 116 68.779 -9.066 5.609 1.00 1.00 H new ATOM 0 HD13 ILE A 116 68.712 -10.466 4.513 1.00 1.00 H new ATOM 1734 N GLU A 117 66.214 -13.177 8.612 1.00 1.00 N ATOM 1735 CA GLU A 117 66.289 -14.567 9.070 1.00 1.00 C ATOM 1736 C GLU A 117 64.852 -15.110 9.024 1.00 1.00 C ATOM 1737 O GLU A 117 64.574 -16.058 8.322 1.00 1.00 O ATOM 1738 CB GLU A 117 66.961 -14.747 10.455 1.00 1.00 C ATOM 1739 CG GLU A 117 66.012 -14.420 11.591 1.00 1.00 C ATOM 1740 CD GLU A 117 66.746 -14.494 12.931 1.00 1.00 C ATOM 1741 OE1 GLU A 117 67.908 -14.872 12.934 1.00 1.00 O ATOM 1742 OE2 GLU A 117 66.140 -14.153 13.935 1.00 1.00 O ATOM 0 H GLU A 117 66.731 -12.508 9.182 1.00 1.00 H new ATOM 0 HA GLU A 117 66.947 -15.137 8.414 1.00 1.00 H new ATOM 0 HB2 GLU A 117 67.310 -15.774 10.558 1.00 1.00 H new ATOM 0 HB3 GLU A 117 67.839 -14.104 10.519 1.00 1.00 H new ATOM 0 HG2 GLU A 117 65.596 -13.422 11.451 1.00 1.00 H new ATOM 0 HG3 GLU A 117 65.175 -15.118 11.588 1.00 1.00 H new ATOM 1749 N VAL A 118 63.939 -14.471 9.740 1.00 1.00 N ATOM 1750 CA VAL A 118 62.531 -14.932 9.722 1.00 1.00 C ATOM 1751 C VAL A 118 61.982 -14.914 8.278 1.00 1.00 C ATOM 1752 O VAL A 118 61.440 -15.907 7.796 1.00 1.00 O ATOM 1753 CB VAL A 118 61.668 -14.035 10.630 1.00 1.00 C ATOM 1754 CG1 VAL A 118 60.178 -14.358 10.444 1.00 1.00 C ATOM 1755 CG2 VAL A 118 62.052 -14.278 12.093 1.00 1.00 C ATOM 0 H VAL A 118 64.123 -13.657 10.327 1.00 1.00 H new ATOM 0 HA VAL A 118 62.492 -15.954 10.098 1.00 1.00 H new ATOM 0 HB VAL A 118 61.843 -12.993 10.362 1.00 1.00 H new ATOM 0 HG11 VAL A 118 59.583 -13.715 11.093 1.00 1.00 H new ATOM 0 HG12 VAL A 118 59.895 -14.187 9.405 1.00 1.00 H new ATOM 0 HG13 VAL A 118 59.997 -15.401 10.702 1.00 1.00 H new ATOM 0 HG21 VAL A 118 61.443 -13.645 12.739 1.00 1.00 H new ATOM 0 HG22 VAL A 118 61.881 -15.325 12.345 1.00 1.00 H new ATOM 0 HG23 VAL A 118 63.105 -14.038 12.237 1.00 1.00 H new ATOM 1765 N LEU A 119 62.107 -13.763 7.621 1.00 1.00 N ATOM 1766 CA LEU A 119 61.594 -13.621 6.251 1.00 1.00 C ATOM 1767 C LEU A 119 62.194 -14.752 5.395 1.00 1.00 C ATOM 1768 O LEU A 119 61.491 -15.701 5.054 1.00 1.00 O ATOM 1769 CB LEU A 119 62.037 -12.254 5.719 1.00 1.00 C ATOM 1770 CG LEU A 119 61.304 -11.871 4.419 1.00 1.00 C ATOM 1771 CD1 LEU A 119 59.885 -11.355 4.716 1.00 1.00 C ATOM 1772 CD2 LEU A 119 62.105 -10.769 3.710 1.00 1.00 C ATOM 0 H LEU A 119 62.550 -12.927 8.002 1.00 1.00 H new ATOM 0 HA LEU A 119 60.506 -13.686 6.220 1.00 1.00 H new ATOM 0 HB2 LEU A 119 61.851 -11.493 6.477 1.00 1.00 H new ATOM 0 HB3 LEU A 119 63.112 -12.267 5.538 1.00 1.00 H new ATOM 0 HG LEU A 119 61.221 -12.755 3.787 1.00 1.00 H new ATOM 0 HD11 LEU A 119 59.390 -11.092 3.781 1.00 1.00 H new ATOM 0 HD12 LEU A 119 59.314 -12.133 5.222 1.00 1.00 H new ATOM 0 HD13 LEU A 119 59.945 -10.474 5.355 1.00 1.00 H new ATOM 0 HD21 LEU A 119 61.598 -10.487 2.787 1.00 1.00 H new ATOM 0 HD22 LEU A 119 62.182 -9.899 4.362 1.00 1.00 H new ATOM 0 HD23 LEU A 119 63.104 -11.138 3.477 1.00 1.00 H new ATOM 1784 N GLY A 120 63.488 -14.665 5.063 1.00 1.00 N ATOM 1785 CA GLY A 120 64.088 -15.735 4.266 1.00 1.00 C ATOM 1786 C GLY A 120 64.168 -17.045 5.071 1.00 1.00 C ATOM 1787 O GLY A 120 63.401 -17.981 4.854 1.00 1.00 O ATOM 0 H GLY A 120 64.113 -13.901 5.320 1.00 1.00 H new ATOM 0 HA2 GLY A 120 63.499 -15.895 3.363 1.00 1.00 H new ATOM 0 HA3 GLY A 120 65.087 -15.439 3.947 1.00 1.00 H new ATOM 1791 N THR A 121 65.147 -17.034 5.962 1.00 1.00 N ATOM 1792 CA THR A 121 65.481 -18.176 6.855 1.00 1.00 C ATOM 1793 C THR A 121 66.983 -18.264 7.091 1.00 1.00 C ATOM 1794 O THR A 121 67.431 -18.803 8.104 1.00 1.00 O ATOM 1795 CB THR A 121 64.979 -19.499 6.219 1.00 1.00 C ATOM 1796 OG1 THR A 121 63.583 -19.628 6.453 1.00 1.00 O ATOM 1797 CG2 THR A 121 65.682 -20.721 6.819 1.00 1.00 C ATOM 0 H THR A 121 65.753 -16.226 6.102 1.00 1.00 H new ATOM 0 HA THR A 121 64.989 -18.016 7.815 1.00 1.00 H new ATOM 0 HB THR A 121 65.200 -19.460 5.152 1.00 1.00 H new ATOM 0 HG1 THR A 121 63.092 -19.059 5.824 1.00 1.00 H new ATOM 0 HG21 THR A 121 65.302 -21.627 6.347 1.00 1.00 H new ATOM 0 HG22 THR A 121 66.756 -20.644 6.646 1.00 1.00 H new ATOM 0 HG23 THR A 121 65.489 -20.762 7.891 1.00 1.00 H new ATOM 1805 N GLY A 122 67.753 -17.778 6.126 1.00 1.00 N ATOM 1806 CA GLY A 122 69.209 -17.856 6.192 1.00 1.00 C ATOM 1807 C GLY A 122 69.664 -18.949 5.235 1.00 1.00 C ATOM 1808 O GLY A 122 70.820 -19.002 4.840 1.00 1.00 O ATOM 0 H GLY A 122 67.394 -17.324 5.286 1.00 1.00 H new ATOM 0 HA2 GLY A 122 69.655 -16.900 5.918 1.00 1.00 H new ATOM 0 HA3 GLY A 122 69.533 -18.080 7.208 1.00 1.00 H new ATOM 1812 N THR A 123 68.703 -19.800 4.874 1.00 1.00 N ATOM 1813 CA THR A 123 68.984 -20.886 3.934 1.00 1.00 C ATOM 1814 C THR A 123 69.590 -20.232 2.688 1.00 1.00 C ATOM 1815 O THR A 123 68.922 -19.965 1.693 1.00 1.00 O ATOM 1816 CB THR A 123 67.709 -21.678 3.597 1.00 1.00 C ATOM 1817 OG1 THR A 123 68.052 -22.779 2.769 1.00 1.00 O ATOM 1818 CG2 THR A 123 66.684 -20.791 2.872 1.00 1.00 C ATOM 0 H THR A 123 67.741 -19.761 5.210 1.00 1.00 H new ATOM 0 HA THR A 123 69.676 -21.610 4.365 1.00 1.00 H new ATOM 0 HB THR A 123 67.260 -22.030 4.526 1.00 1.00 H new ATOM 0 HG1 THR A 123 67.244 -23.289 2.551 1.00 1.00 H new ATOM 0 HG21 THR A 123 65.792 -21.376 2.646 1.00 1.00 H new ATOM 0 HG22 THR A 123 66.414 -19.950 3.511 1.00 1.00 H new ATOM 0 HG23 THR A 123 67.118 -20.417 1.945 1.00 1.00 H new ATOM 1826 N ASP A 124 70.892 -20.006 2.789 1.00 1.00 N ATOM 1827 CA ASP A 124 71.662 -19.406 1.710 1.00 1.00 C ATOM 1828 C ASP A 124 73.153 -19.549 1.949 1.00 1.00 C ATOM 1829 O ASP A 124 73.591 -20.011 3.001 1.00 1.00 O ATOM 1830 CB ASP A 124 71.304 -17.924 1.561 1.00 1.00 C ATOM 1831 CG ASP A 124 71.803 -17.133 2.766 1.00 1.00 C ATOM 1832 OD1 ASP A 124 72.375 -17.738 3.655 1.00 1.00 O ATOM 1833 OD2 ASP A 124 71.618 -15.928 2.771 1.00 1.00 O ATOM 0 H ASP A 124 71.442 -20.232 3.618 1.00 1.00 H new ATOM 0 HA ASP A 124 71.410 -19.934 0.791 1.00 1.00 H new ATOM 0 HB2 ASP A 124 71.747 -17.526 0.648 1.00 1.00 H new ATOM 0 HB3 ASP A 124 70.224 -17.812 1.466 1.00 1.00 H new ATOM 1838 N TYR A 125 73.925 -19.087 0.978 1.00 1.00 N ATOM 1839 CA TYR A 125 75.377 -19.088 1.080 1.00 1.00 C ATOM 1840 C TYR A 125 75.917 -17.854 0.332 1.00 1.00 C ATOM 1841 O TYR A 125 75.376 -17.466 -0.704 1.00 1.00 O ATOM 1842 CB TYR A 125 75.937 -20.420 0.523 1.00 1.00 C ATOM 1843 CG TYR A 125 77.123 -20.161 -0.369 1.00 1.00 C ATOM 1844 CD1 TYR A 125 78.405 -20.023 0.177 1.00 1.00 C ATOM 1845 CD2 TYR A 125 76.921 -20.019 -1.739 1.00 1.00 C ATOM 1846 CE1 TYR A 125 79.490 -19.743 -0.663 1.00 1.00 C ATOM 1847 CE2 TYR A 125 77.999 -19.747 -2.577 1.00 1.00 C ATOM 1848 CZ TYR A 125 79.286 -19.605 -2.044 1.00 1.00 C ATOM 1849 OH TYR A 125 80.350 -19.325 -2.877 1.00 1.00 O ATOM 0 H TYR A 125 73.567 -18.703 0.103 1.00 1.00 H new ATOM 0 HA TYR A 125 75.701 -19.022 2.119 1.00 1.00 H new ATOM 0 HB2 TYR A 125 76.229 -21.071 1.347 1.00 1.00 H new ATOM 0 HB3 TYR A 125 75.161 -20.942 -0.036 1.00 1.00 H new ATOM 0 HD1 TYR A 125 78.556 -20.132 1.241 1.00 1.00 H new ATOM 0 HD2 TYR A 125 75.928 -20.120 -2.152 1.00 1.00 H new ATOM 0 HE1 TYR A 125 80.481 -19.634 -0.249 1.00 1.00 H new ATOM 0 HE2 TYR A 125 77.842 -19.645 -3.641 1.00 1.00 H new ATOM 0 HH TYR A 125 80.448 -20.044 -3.535 1.00 1.00 H new ATOM 1859 N ARG A 126 76.996 -17.260 0.848 1.00 1.00 N ATOM 1860 CA ARG A 126 77.611 -16.090 0.203 1.00 1.00 C ATOM 1861 C ARG A 126 79.115 -16.047 0.470 1.00 1.00 C ATOM 1862 O ARG A 126 79.583 -16.541 1.498 1.00 1.00 O ATOM 1863 CB ARG A 126 76.957 -14.791 0.689 1.00 1.00 C ATOM 1864 CG ARG A 126 77.653 -13.594 0.026 1.00 1.00 C ATOM 1865 CD ARG A 126 76.861 -12.316 0.302 1.00 1.00 C ATOM 1866 NE ARG A 126 75.607 -12.327 -0.455 1.00 1.00 N ATOM 1867 CZ ARG A 126 74.485 -11.802 0.034 1.00 1.00 C ATOM 1868 NH1 ARG A 126 74.479 -11.238 1.211 1.00 1.00 N ATOM 1869 NH2 ARG A 126 73.387 -11.843 -0.671 1.00 1.00 N ATOM 0 H ARG A 126 77.461 -17.564 1.703 1.00 1.00 H new ATOM 0 HA ARG A 126 77.450 -16.182 -0.871 1.00 1.00 H new ATOM 0 HB2 ARG A 126 75.895 -14.791 0.443 1.00 1.00 H new ATOM 0 HB3 ARG A 126 77.033 -14.716 1.774 1.00 1.00 H new ATOM 0 HG2 ARG A 126 78.668 -13.494 0.410 1.00 1.00 H new ATOM 0 HG3 ARG A 126 77.733 -13.758 -1.049 1.00 1.00 H new ATOM 0 HD2 ARG A 126 76.650 -12.233 1.368 1.00 1.00 H new ATOM 0 HD3 ARG A 126 77.454 -11.444 0.025 1.00 1.00 H new ATOM 0 HE ARG A 126 75.593 -12.749 -1.384 1.00 1.00 H new ATOM 0 HH11 ARG A 126 75.337 -11.198 1.762 1.00 1.00 H new ATOM 0 HH12 ARG A 126 73.617 -10.838 1.580 1.00 1.00 H new ATOM 0 HH21 ARG A 126 73.390 -12.277 -1.594 1.00 1.00 H new ATOM 0 HH22 ARG A 126 72.526 -11.442 -0.299 1.00 1.00 H new ATOM 1883 N PHE A 127 79.873 -15.450 -0.458 1.00 1.00 N ATOM 1884 CA PHE A 127 81.330 -15.345 -0.317 1.00 1.00 C ATOM 1885 C PHE A 127 81.754 -13.882 -0.173 1.00 1.00 C ATOM 1886 O PHE A 127 80.914 -13.021 -0.373 1.00 1.00 O ATOM 1887 CB PHE A 127 82.007 -15.954 -1.553 1.00 1.00 C ATOM 1888 CG PHE A 127 81.741 -15.087 -2.769 1.00 1.00 C ATOM 1889 CD1 PHE A 127 80.461 -15.047 -3.338 1.00 1.00 C ATOM 1890 CD2 PHE A 127 82.774 -14.316 -3.322 1.00 1.00 C ATOM 1891 CE1 PHE A 127 80.215 -14.242 -4.458 1.00 1.00 C ATOM 1892 CE2 PHE A 127 82.527 -13.512 -4.442 1.00 1.00 C ATOM 1893 CZ PHE A 127 81.248 -13.474 -5.008 1.00 1.00 C ATOM 1894 OXT PHE A 127 82.912 -13.647 0.131 1.00 1.00 O ATOM 0 H PHE A 127 79.503 -15.033 -1.312 1.00 1.00 H new ATOM 0 HA PHE A 127 81.635 -15.886 0.579 1.00 1.00 H new ATOM 0 HB2 PHE A 127 83.081 -16.040 -1.385 1.00 1.00 H new ATOM 0 HB3 PHE A 127 81.630 -16.962 -1.725 1.00 1.00 H new ATOM 0 HD1 PHE A 127 79.663 -15.638 -2.913 1.00 1.00 H new ATOM 0 HD2 PHE A 127 83.761 -14.342 -2.884 1.00 1.00 H new ATOM 0 HE1 PHE A 127 79.229 -14.214 -4.897 1.00 1.00 H new ATOM 0 HE2 PHE A 127 83.324 -12.921 -4.869 1.00 1.00 H new ATOM 0 HZ PHE A 127 81.058 -12.852 -5.870 1.00 1.00 H new TER 1904 PHE A 127 HETATM 1905 O1 MTN A 128 66.326 4.656 -10.755 1.00 1.00 O HETATM 1906 N1 MTN A 128 66.210 4.874 -9.513 1.00 1.00 N HETATM 1907 C1 MTN A 128 66.544 3.873 -8.478 1.00 1.00 C HETATM 1908 C2 MTN A 128 66.230 4.650 -7.255 1.00 1.00 C HETATM 1909 C3 MTN A 128 65.792 5.871 -7.493 1.00 1.00 C HETATM 1910 C4 MTN A 128 65.411 6.864 -6.443 1.00 1.00 C HETATM 1911 S1 MTN A 128 64.816 6.127 -4.899 1.00 1.00 S HETATM 1912 C5 MTN A 128 65.715 6.180 -8.971 1.00 1.00 C HETATM 1913 C6 MTN A 128 64.311 6.572 -9.430 1.00 1.00 C HETATM 1914 C7 MTN A 128 66.724 7.271 -9.313 1.00 1.00 C HETATM 1915 C8 MTN A 128 65.687 2.613 -8.577 1.00 1.00 C HETATM 1916 C9 MTN A 128 68.024 3.538 -8.534 1.00 1.00 C HETATM 0 H93 MTN A 128 68.268 3.132 -9.516 1.00 1.00 H new HETATM 0 H92 MTN A 128 68.608 4.441 -8.359 1.00 1.00 H new HETATM 0 H91 MTN A 128 68.259 2.800 -7.767 1.00 1.00 H new HETATM 0 H83 MTN A 128 64.636 2.877 -8.458 1.00 1.00 H new HETATM 0 H82 MTN A 128 65.836 2.147 -9.551 1.00 1.00 H new HETATM 0 H81 MTN A 128 65.976 1.914 -7.793 1.00 1.00 H new HETATM 0 H73 MTN A 128 67.688 7.028 -8.866 1.00 1.00 H new HETATM 0 H72 MTN A 128 66.833 7.339 -10.395 1.00 1.00 H new HETATM 0 H71 MTN A 128 66.373 8.226 -8.923 1.00 1.00 H new HETATM 0 H63 MTN A 128 64.294 6.656 -10.517 1.00 1.00 H new HETATM 0 H62 MTN A 128 63.599 5.810 -9.113 1.00 1.00 H new HETATM 0 H61 MTN A 128 64.038 7.530 -8.988 1.00 1.00 H new HETATM 0 H42 MTN A 128 66.275 7.492 -6.223 1.00 1.00 H new HETATM 0 H41 MTN A 128 64.635 7.518 -6.842 1.00 1.00 H new HETATM 0 H2 MTN A 128 66.350 4.248 -6.249 1.00 1.00 H new HETATM 1932 O1 MTN A 129 71.594 -10.141 -4.907 1.00 1.00 O HETATM 1933 N1 MTN A 129 70.778 -9.214 -4.624 1.00 1.00 N HETATM 1934 C1 MTN A 129 70.071 -8.428 -5.652 1.00 1.00 C HETATM 1935 C2 MTN A 129 69.287 -7.515 -4.777 1.00 1.00 C HETATM 1936 C3 MTN A 129 69.483 -7.711 -3.482 1.00 1.00 C HETATM 1937 C4 MTN A 129 68.848 -6.908 -2.387 1.00 1.00 C HETATM 1938 S1 MTN A 129 68.286 -5.255 -2.892 1.00 1.00 S HETATM 1939 C5 MTN A 129 70.457 -8.839 -3.213 1.00 1.00 C HETATM 1940 C6 MTN A 129 71.655 -8.455 -2.349 1.00 1.00 C HETATM 1941 C7 MTN A 129 69.705 -10.001 -2.576 1.00 1.00 C HETATM 1942 C8 MTN A 129 71.024 -7.669 -6.584 1.00 1.00 C HETATM 1943 C9 MTN A 129 69.144 -9.350 -6.432 1.00 1.00 C HETATM 0 H93 MTN A 129 69.730 -10.136 -6.909 1.00 1.00 H new HETATM 0 H92 MTN A 129 68.421 -9.799 -5.752 1.00 1.00 H new HETATM 0 H91 MTN A 129 68.617 -8.776 -7.194 1.00 1.00 H new HETATM 0 H83 MTN A 129 71.632 -6.979 -5.999 1.00 1.00 H new HETATM 0 H82 MTN A 129 71.673 -8.379 -7.097 1.00 1.00 H new HETATM 0 H81 MTN A 129 70.445 -7.109 -7.319 1.00 1.00 H new HETATM 0 H73 MTN A 129 68.787 -10.190 -3.133 1.00 1.00 H new HETATM 0 H72 MTN A 129 70.331 -10.893 -2.595 1.00 1.00 H new HETATM 0 H71 MTN A 129 69.458 -9.753 -1.544 1.00 1.00 H new HETATM 0 H63 MTN A 129 72.348 -9.294 -2.295 1.00 1.00 H new HETATM 0 H62 MTN A 129 72.160 -7.595 -2.789 1.00 1.00 H new HETATM 0 H61 MTN A 129 71.313 -8.201 -1.346 1.00 1.00 H new HETATM 0 H42 MTN A 129 67.996 -7.463 -1.994 1.00 1.00 H new HETATM 0 H41 MTN A 129 69.563 -6.801 -1.571 1.00 1.00 H new HETATM 0 H2 MTN A 129 68.612 -6.753 -5.167 1.00 1.00 H new HETATM 1959 O1 MTN A 130 81.947 -10.329 5.367 1.00 1.00 O HETATM 1960 N1 MTN A 130 81.327 -9.413 5.982 1.00 1.00 N HETATM 1961 C1 MTN A 130 81.764 -8.884 7.289 1.00 1.00 C HETATM 1962 C2 MTN A 130 80.714 -7.862 7.519 1.00 1.00 C HETATM 1963 C3 MTN A 130 79.817 -7.795 6.550 1.00 1.00 C HETATM 1964 C4 MTN A 130 78.651 -6.861 6.519 1.00 1.00 C HETATM 1965 S1 MTN A 130 78.896 -5.395 5.496 1.00 1.00 S HETATM 1966 C5 MTN A 130 80.086 -8.783 5.441 1.00 1.00 C HETATM 1967 C6 MTN A 130 78.923 -9.745 5.212 1.00 1.00 C HETATM 1968 C7 MTN A 130 80.430 -8.037 4.155 1.00 1.00 C HETATM 1969 C8 MTN A 130 81.759 -9.938 8.391 1.00 1.00 C HETATM 1970 C9 MTN A 130 83.130 -8.246 7.173 1.00 1.00 C HETATM 0 H93 MTN A 130 83.851 -8.989 6.833 1.00 1.00 H new HETATM 0 H92 MTN A 130 83.089 -7.426 6.456 1.00 1.00 H new HETATM 0 H91 MTN A 130 83.436 -7.862 8.146 1.00 1.00 H new HETATM 0 H83 MTN A 130 80.750 -10.331 8.514 1.00 1.00 H new HETATM 0 H82 MTN A 130 82.434 -10.750 8.121 1.00 1.00 H new HETATM 0 H81 MTN A 130 82.090 -9.488 9.327 1.00 1.00 H new HETATM 0 H73 MTN A 130 81.171 -7.267 4.368 1.00 1.00 H new HETATM 0 H72 MTN A 130 80.835 -8.738 3.425 1.00 1.00 H new HETATM 0 H71 MTN A 130 79.530 -7.573 3.752 1.00 1.00 H new HETATM 0 H63 MTN A 130 79.221 -10.512 4.498 1.00 1.00 H new HETATM 0 H62 MTN A 130 78.649 -10.215 6.156 1.00 1.00 H new HETATM 0 H61 MTN A 130 78.068 -9.195 4.819 1.00 1.00 H new HETATM 0 H42 MTN A 130 77.778 -7.402 6.154 1.00 1.00 H new HETATM 0 H41 MTN A 130 78.427 -6.545 7.538 1.00 1.00 H new HETATM 0 H2 MTN A 130 80.685 -7.226 8.404 1.00 1.00 H new