USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 697 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc=-0.00194 X(o=-0.0019,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -1.56 K(o=-1.6,f=-2.7!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -2.7 K(o=-2.7,f=-3.8!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.917 USER MOD Single : A 38 GLN : amide:sc= -1.95 K(o=-2,f=-0.92) USER MOD Single : A 39 HIS : no HD1:sc= -0.0246 X(o=-0.025,f=0) USER MOD Single : A 42 GLN : amide:sc= -1.48 X(o=-1.5,f=-1.3) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 148:sc= -1.09 (180deg=-1.89) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.394 X(o=-0.39,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00738) USER MOD Single : A 58 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00374) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 79:sc= -0.837 USER MOD Single : A 66 THR OG1 : rot 75:sc= 0.614 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.000265) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -1.62 K(o=-1.6,f=-4.9!) USER MOD Single : B 122 GLN : amide:sc= -0.216 X(o=-0.22,f=-0.12) USER MOD Single : B 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -12.299 -9.163 1.419 1.00 13.10 N ATOM 2 CA ASN A 10 -11.079 -8.461 1.781 1.00 20.10 C ATOM 3 C ASN A 10 -10.418 -7.841 0.554 1.00 51.00 C ATOM 4 O ASN A 10 -9.767 -6.800 0.647 1.00 70.30 O ATOM 5 CB ASN A 10 -10.104 -9.415 2.473 1.00 34.00 C ATOM 6 CG ASN A 10 -10.527 -9.746 3.891 1.00 24.00 C ATOM 7 OD1 ASN A 10 -11.068 -10.821 4.154 1.00 63.40 O ATOM 8 ND2 ASN A 10 -10.284 -8.821 4.813 1.00 3.03 N ATOM 0 HA ASN A 10 -11.344 -7.659 2.470 1.00 20.10 H new ATOM 0 HB2 ASN A 10 -10.029 -10.336 1.895 1.00 34.00 H new ATOM 0 HB3 ASN A 10 -9.111 -8.967 2.488 1.00 34.00 H new ATOM 0 HD21 ASN A 10 -10.548 -8.987 5.784 1.00 3.03 H new ATOM 0 HD22 ASN A 10 -9.833 -7.945 4.550 1.00 3.03 H new ATOM 15 N LEU A 11 -10.586 -8.486 -0.593 1.00 33.40 N ATOM 16 CA LEU A 11 -10.003 -7.996 -1.836 1.00 72.30 C ATOM 17 C LEU A 11 -10.581 -6.634 -2.209 1.00 43.50 C ATOM 18 O LEU A 11 -9.864 -5.760 -2.701 1.00 0.31 O ATOM 19 CB LEU A 11 -10.251 -8.995 -2.972 1.00 64.20 C ATOM 20 CG LEU A 11 -11.696 -9.088 -3.447 1.00 52.40 C ATOM 21 CD1 LEU A 11 -11.972 -8.058 -4.534 1.00 64.40 C ATOM 22 CD2 LEU A 11 -11.998 -10.492 -3.955 1.00 45.10 C ATOM 0 H LEU A 11 -11.121 -9.349 -0.689 1.00 33.40 H new ATOM 0 HA LEU A 11 -8.929 -7.887 -1.684 1.00 72.30 H new ATOM 0 HB2 LEU A 11 -9.623 -8.721 -3.820 1.00 64.20 H new ATOM 0 HB3 LEU A 11 -9.929 -9.983 -2.643 1.00 64.20 H new ATOM 0 HG LEU A 11 -12.350 -8.876 -2.601 1.00 52.40 H new ATOM 0 HD11 LEU A 11 -13.009 -8.141 -4.859 1.00 64.40 H new ATOM 0 HD12 LEU A 11 -11.794 -7.057 -4.140 1.00 64.40 H new ATOM 0 HD13 LEU A 11 -11.310 -8.237 -5.382 1.00 64.40 H new ATOM 0 HD21 LEU A 11 -13.034 -10.543 -4.291 1.00 45.10 H new ATOM 0 HD22 LEU A 11 -11.335 -10.728 -4.787 1.00 45.10 H new ATOM 0 HD23 LEU A 11 -11.842 -11.211 -3.151 1.00 45.10 H new ATOM 34 N GLN A 12 -11.871 -6.454 -1.960 1.00 41.30 N ATOM 35 CA GLN A 12 -12.545 -5.199 -2.271 1.00 61.30 C ATOM 36 C GLN A 12 -11.938 -4.049 -1.475 1.00 54.40 C ATOM 37 O GLN A 12 -11.660 -2.981 -2.019 1.00 2.41 O ATOM 38 CB GLN A 12 -14.036 -5.305 -1.967 1.00 50.20 C ATOM 39 CG GLN A 12 -14.912 -4.539 -2.947 1.00 44.40 C ATOM 40 CD GLN A 12 -16.250 -5.217 -3.193 1.00 30.10 C ATOM 41 OE1 GLN A 12 -17.049 -5.383 -2.271 1.00 34.40 O ATOM 42 NE2 GLN A 12 -16.494 -5.608 -4.434 1.00 73.10 N ATOM 0 H GLN A 12 -12.474 -7.163 -1.542 1.00 41.30 H new ATOM 0 HA GLN A 12 -12.412 -4.999 -3.334 1.00 61.30 H new ATOM 0 HB2 GLN A 12 -14.327 -6.355 -1.977 1.00 50.20 H new ATOM 0 HB3 GLN A 12 -14.221 -4.932 -0.959 1.00 50.20 H new ATOM 0 HG2 GLN A 12 -15.084 -3.533 -2.564 1.00 44.40 H new ATOM 0 HG3 GLN A 12 -14.383 -4.433 -3.894 1.00 44.40 H new ATOM 0 HE21 GLN A 12 -15.800 -5.448 -5.165 1.00 73.10 H new ATOM 0 HE22 GLN A 12 -17.376 -6.069 -4.659 1.00 73.10 H new ATOM 51 N LYS A 13 -11.735 -4.277 -0.181 1.00 70.10 N ATOM 52 CA LYS A 13 -11.161 -3.259 0.692 1.00 64.40 C ATOM 53 C LYS A 13 -9.765 -2.864 0.222 1.00 3.22 C ATOM 54 O LYS A 13 -9.341 -1.721 0.394 1.00 62.20 O ATOM 55 CB LYS A 13 -11.100 -3.769 2.133 1.00 22.20 C ATOM 56 CG LYS A 13 -12.398 -3.578 2.901 1.00 42.40 C ATOM 57 CD LYS A 13 -13.558 -4.285 2.218 1.00 23.30 C ATOM 58 CE LYS A 13 -14.701 -4.542 3.186 1.00 0.42 C ATOM 59 NZ LYS A 13 -16.007 -4.660 2.485 1.00 61.30 N ATOM 0 H LYS A 13 -11.959 -5.156 0.285 1.00 70.10 H new ATOM 0 HA LYS A 13 -11.802 -2.378 0.652 1.00 64.40 H new ATOM 0 HB2 LYS A 13 -10.845 -4.829 2.124 1.00 22.20 H new ATOM 0 HB3 LYS A 13 -10.297 -3.253 2.659 1.00 22.20 H new ATOM 0 HG2 LYS A 13 -12.282 -3.962 3.915 1.00 42.40 H new ATOM 0 HG3 LYS A 13 -12.618 -2.514 2.986 1.00 42.40 H new ATOM 0 HD2 LYS A 13 -13.915 -3.680 1.385 1.00 23.30 H new ATOM 0 HD3 LYS A 13 -13.214 -5.231 1.800 1.00 23.30 H new ATOM 0 HE2 LYS A 13 -14.505 -5.457 3.744 1.00 0.42 H new ATOM 0 HE3 LYS A 13 -14.751 -3.731 3.912 1.00 0.42 H new ATOM 0 HZ1 LYS A 13 -16.760 -4.835 3.181 1.00 61.30 H new ATOM 0 HZ2 LYS A 13 -16.207 -3.777 1.973 1.00 61.30 H new ATOM 0 HZ3 LYS A 13 -15.969 -5.451 1.810 1.00 61.30 H new ATOM 73 N ALA A 14 -9.054 -3.817 -0.373 1.00 74.30 N ATOM 74 CA ALA A 14 -7.706 -3.568 -0.868 1.00 61.20 C ATOM 75 C ALA A 14 -7.729 -2.657 -2.090 1.00 50.30 C ATOM 76 O ALA A 14 -7.014 -1.656 -2.144 1.00 5.41 O ATOM 77 CB ALA A 14 -7.016 -4.883 -1.201 1.00 22.10 C ATOM 0 H ALA A 14 -9.390 -4.768 -0.524 1.00 74.30 H new ATOM 0 HA ALA A 14 -7.144 -3.063 -0.082 1.00 61.20 H new ATOM 0 HB1 ALA A 14 -6.010 -4.683 -1.570 1.00 22.10 H new ATOM 0 HB2 ALA A 14 -6.958 -5.501 -0.305 1.00 22.10 H new ATOM 0 HB3 ALA A 14 -7.585 -5.409 -1.968 1.00 22.10 H new ATOM 83 N ILE A 15 -8.556 -3.009 -3.069 1.00 55.40 N ATOM 84 CA ILE A 15 -8.673 -2.222 -4.291 1.00 33.00 C ATOM 85 C ILE A 15 -9.379 -0.898 -4.025 1.00 63.10 C ATOM 86 O ILE A 15 -9.029 0.131 -4.605 1.00 22.50 O ATOM 87 CB ILE A 15 -9.438 -2.989 -5.381 1.00 12.00 C ATOM 88 CG1 ILE A 15 -8.874 -4.403 -5.537 1.00 71.30 C ATOM 89 CG2 ILE A 15 -9.370 -2.236 -6.700 1.00 54.30 C ATOM 90 CD1 ILE A 15 -7.399 -4.431 -5.869 1.00 72.40 C ATOM 0 H ILE A 15 -9.155 -3.834 -3.040 1.00 55.40 H new ATOM 0 HA ILE A 15 -7.659 -2.026 -4.640 1.00 33.00 H new ATOM 0 HB ILE A 15 -10.483 -3.070 -5.082 1.00 12.00 H new ATOM 0 HG12 ILE A 15 -9.041 -4.956 -4.613 1.00 71.30 H new ATOM 0 HG13 ILE A 15 -9.425 -4.921 -6.322 1.00 71.30 H new ATOM 0 HG21 ILE A 15 -9.916 -2.790 -7.464 1.00 54.30 H new ATOM 0 HG22 ILE A 15 -9.816 -1.249 -6.579 1.00 54.30 H new ATOM 0 HG23 ILE A 15 -8.329 -2.128 -7.004 1.00 54.30 H new ATOM 0 HD11 ILE A 15 -7.067 -5.465 -5.965 1.00 72.40 H new ATOM 0 HD12 ILE A 15 -7.228 -3.906 -6.809 1.00 72.40 H new ATOM 0 HD13 ILE A 15 -6.838 -3.942 -5.073 1.00 72.40 H new ATOM 102 N ASP A 16 -10.376 -0.930 -3.147 1.00 14.30 N ATOM 103 CA ASP A 16 -11.132 0.270 -2.804 1.00 72.10 C ATOM 104 C ASP A 16 -10.260 1.264 -2.044 1.00 11.10 C ATOM 105 O ASP A 16 -10.338 2.471 -2.268 1.00 41.20 O ATOM 106 CB ASP A 16 -12.358 -0.097 -1.965 1.00 54.10 C ATOM 107 CG ASP A 16 -13.510 -0.584 -2.811 1.00 54.10 C ATOM 108 OD1 ASP A 16 -14.305 0.262 -3.273 1.00 11.20 O ATOM 109 OD2 ASP A 16 -13.620 -1.812 -3.015 1.00 4.33 O ATOM 0 H ASP A 16 -10.680 -1.773 -2.660 1.00 14.30 H new ATOM 0 HA ASP A 16 -11.462 0.739 -3.731 1.00 72.10 H new ATOM 0 HB2 ASP A 16 -12.085 -0.871 -1.247 1.00 54.10 H new ATOM 0 HB3 ASP A 16 -12.675 0.773 -1.390 1.00 54.10 H new ATOM 114 N LEU A 17 -9.429 0.747 -1.144 1.00 73.30 N ATOM 115 CA LEU A 17 -8.541 1.590 -0.351 1.00 71.10 C ATOM 116 C LEU A 17 -7.376 2.097 -1.194 1.00 11.30 C ATOM 117 O LEU A 17 -7.034 3.280 -1.150 1.00 4.22 O ATOM 118 CB LEU A 17 -8.012 0.814 0.857 1.00 11.10 C ATOM 119 CG LEU A 17 -9.003 0.659 2.011 1.00 42.20 C ATOM 120 CD1 LEU A 17 -8.390 -0.167 3.133 1.00 74.20 C ATOM 121 CD2 LEU A 17 -9.436 2.024 2.527 1.00 33.30 C ATOM 0 H LEU A 17 -9.352 -0.251 -0.946 1.00 73.30 H new ATOM 0 HA LEU A 17 -9.113 2.449 -0.001 1.00 71.10 H new ATOM 0 HB2 LEU A 17 -7.705 -0.178 0.526 1.00 11.10 H new ATOM 0 HB3 LEU A 17 -7.119 1.316 1.230 1.00 11.10 H new ATOM 0 HG LEU A 17 -9.884 0.135 1.641 1.00 42.20 H new ATOM 0 HD11 LEU A 17 -9.109 -0.267 3.946 1.00 74.20 H new ATOM 0 HD12 LEU A 17 -8.129 -1.156 2.756 1.00 74.20 H new ATOM 0 HD13 LEU A 17 -7.492 0.330 3.502 1.00 74.20 H new ATOM 0 HD21 LEU A 17 -10.141 1.896 3.348 1.00 33.30 H new ATOM 0 HD22 LEU A 17 -8.563 2.573 2.881 1.00 33.30 H new ATOM 0 HD23 LEU A 17 -9.914 2.582 1.722 1.00 33.30 H new ATOM 133 N ALA A 18 -6.770 1.197 -1.961 1.00 11.50 N ATOM 134 CA ALA A 18 -5.644 1.554 -2.815 1.00 11.00 C ATOM 135 C ALA A 18 -6.063 2.553 -3.888 1.00 33.50 C ATOM 136 O ALA A 18 -5.331 3.494 -4.193 1.00 75.30 O ATOM 137 CB ALA A 18 -5.050 0.308 -3.453 1.00 12.10 C ATOM 0 H ALA A 18 -7.040 0.215 -2.008 1.00 11.50 H new ATOM 0 HA ALA A 18 -4.884 2.027 -2.193 1.00 11.00 H new ATOM 0 HB1 ALA A 18 -4.210 0.590 -4.088 1.00 12.10 H new ATOM 0 HB2 ALA A 18 -4.704 -0.370 -2.673 1.00 12.10 H new ATOM 0 HB3 ALA A 18 -5.810 -0.190 -4.056 1.00 12.10 H new ATOM 143 N SER A 19 -7.245 2.340 -4.457 1.00 44.00 N ATOM 144 CA SER A 19 -7.762 3.221 -5.498 1.00 53.20 C ATOM 145 C SER A 19 -8.083 4.600 -4.931 1.00 34.20 C ATOM 146 O SER A 19 -7.973 5.610 -5.628 1.00 64.50 O ATOM 147 CB SER A 19 -9.013 2.615 -6.134 1.00 20.20 C ATOM 148 OG SER A 19 -9.399 3.337 -7.291 1.00 41.20 O ATOM 0 H SER A 19 -7.863 1.565 -4.215 1.00 44.00 H new ATOM 0 HA SER A 19 -6.992 3.331 -6.262 1.00 53.20 H new ATOM 0 HB2 SER A 19 -8.823 1.575 -6.398 1.00 20.20 H new ATOM 0 HB3 SER A 19 -9.829 2.617 -5.411 1.00 20.20 H new ATOM 0 HG SER A 19 -10.200 2.928 -7.679 1.00 41.20 H new ATOM 154 N LYS A 20 -8.480 4.637 -3.664 1.00 74.10 N ATOM 155 CA LYS A 20 -8.818 5.893 -3.004 1.00 64.40 C ATOM 156 C LYS A 20 -7.561 6.703 -2.700 1.00 13.30 C ATOM 157 O LYS A 20 -7.556 7.928 -2.821 1.00 34.20 O ATOM 158 CB LYS A 20 -9.589 5.623 -1.710 1.00 72.20 C ATOM 159 CG LYS A 20 -10.677 6.645 -1.426 1.00 42.30 C ATOM 160 CD LYS A 20 -11.451 6.299 -0.165 1.00 22.50 C ATOM 161 CE LYS A 20 -12.638 7.228 0.033 1.00 2.42 C ATOM 162 NZ LYS A 20 -13.789 6.530 0.667 1.00 22.50 N ATOM 0 H LYS A 20 -8.576 3.811 -3.073 1.00 74.10 H new ATOM 0 HA LYS A 20 -9.448 6.471 -3.680 1.00 64.40 H new ATOM 0 HB2 LYS A 20 -10.039 4.632 -1.765 1.00 72.20 H new ATOM 0 HB3 LYS A 20 -8.888 5.609 -0.875 1.00 72.20 H new ATOM 0 HG2 LYS A 20 -10.230 7.634 -1.320 1.00 42.30 H new ATOM 0 HG3 LYS A 20 -11.362 6.694 -2.273 1.00 42.30 H new ATOM 0 HD2 LYS A 20 -11.800 5.268 -0.223 1.00 22.50 H new ATOM 0 HD3 LYS A 20 -10.789 6.364 0.699 1.00 22.50 H new ATOM 0 HE2 LYS A 20 -12.339 8.072 0.654 1.00 2.42 H new ATOM 0 HE3 LYS A 20 -12.946 7.634 -0.930 1.00 2.42 H new ATOM 0 HZ1 LYS A 20 -14.578 7.198 0.785 1.00 22.50 H new ATOM 0 HZ2 LYS A 20 -14.092 5.740 0.062 1.00 22.50 H new ATOM 0 HZ3 LYS A 20 -13.503 6.164 1.598 1.00 22.50 H new ATOM 176 N ALA A 21 -6.498 6.010 -2.305 1.00 63.30 N ATOM 177 CA ALA A 21 -5.235 6.665 -1.984 1.00 12.40 C ATOM 178 C ALA A 21 -4.698 7.441 -3.182 1.00 45.30 C ATOM 179 O ALA A 21 -4.314 8.603 -3.060 1.00 31.00 O ATOM 180 CB ALA A 21 -4.213 5.639 -1.517 1.00 40.10 C ATOM 0 H ALA A 21 -6.486 4.996 -2.200 1.00 63.30 H new ATOM 0 HA ALA A 21 -5.417 7.375 -1.177 1.00 12.40 H new ATOM 0 HB1 ALA A 21 -3.275 6.141 -1.281 1.00 40.10 H new ATOM 0 HB2 ALA A 21 -4.587 5.132 -0.628 1.00 40.10 H new ATOM 0 HB3 ALA A 21 -4.044 4.908 -2.308 1.00 40.10 H new ATOM 186 N ALA A 22 -4.677 6.790 -4.341 1.00 73.30 N ATOM 187 CA ALA A 22 -4.188 7.418 -5.561 1.00 32.40 C ATOM 188 C ALA A 22 -5.139 8.513 -6.034 1.00 0.21 C ATOM 189 O ALA A 22 -4.706 9.553 -6.530 1.00 52.00 O ATOM 190 CB ALA A 22 -3.998 6.375 -6.652 1.00 22.30 C ATOM 0 H ALA A 22 -4.993 5.828 -4.460 1.00 73.30 H new ATOM 0 HA ALA A 22 -3.225 7.879 -5.342 1.00 32.40 H new ATOM 0 HB1 ALA A 22 -3.632 6.858 -7.558 1.00 22.30 H new ATOM 0 HB2 ALA A 22 -3.275 5.630 -6.321 1.00 22.30 H new ATOM 0 HB3 ALA A 22 -4.951 5.888 -6.860 1.00 22.30 H new ATOM 196 N GLN A 23 -6.435 8.271 -5.877 1.00 63.20 N ATOM 197 CA GLN A 23 -7.448 9.237 -6.288 1.00 42.10 C ATOM 198 C GLN A 23 -7.281 10.553 -5.537 1.00 44.10 C ATOM 199 O GLN A 23 -7.485 11.630 -6.099 1.00 63.30 O ATOM 200 CB GLN A 23 -8.850 8.673 -6.044 1.00 73.20 C ATOM 201 CG GLN A 23 -9.944 9.422 -6.786 1.00 63.20 C ATOM 202 CD GLN A 23 -10.362 10.695 -6.079 1.00 3.11 C ATOM 203 OE1 GLN A 23 -9.968 11.794 -6.468 1.00 43.20 O ATOM 204 NE2 GLN A 23 -11.165 10.553 -5.030 1.00 1.13 N ATOM 0 H GLN A 23 -6.810 7.415 -5.468 1.00 63.20 H new ATOM 0 HA GLN A 23 -7.320 9.428 -7.354 1.00 42.10 H new ATOM 0 HB2 GLN A 23 -8.869 7.626 -6.346 1.00 73.20 H new ATOM 0 HB3 GLN A 23 -9.063 8.701 -4.975 1.00 73.20 H new ATOM 0 HG2 GLN A 23 -9.596 9.666 -7.790 1.00 63.20 H new ATOM 0 HG3 GLN A 23 -10.812 8.772 -6.899 1.00 63.20 H new ATOM 0 HE21 GLN A 23 -11.468 9.623 -4.742 1.00 1.13 H new ATOM 0 HE22 GLN A 23 -11.479 11.374 -4.513 1.00 1.13 H new ATOM 213 N GLU A 24 -6.907 10.461 -4.266 1.00 44.10 N ATOM 214 CA GLU A 24 -6.712 11.645 -3.438 1.00 2.33 C ATOM 215 C GLU A 24 -5.457 12.404 -3.861 1.00 4.43 C ATOM 216 O GLU A 24 -5.428 13.634 -3.841 1.00 71.00 O ATOM 217 CB GLU A 24 -6.611 11.251 -1.963 1.00 74.20 C ATOM 218 CG GLU A 24 -7.946 11.262 -1.237 1.00 5.14 C ATOM 219 CD GLU A 24 -8.757 10.007 -1.491 1.00 22.10 C ATOM 220 OE1 GLU A 24 -8.527 8.999 -0.790 1.00 43.30 O ATOM 221 OE2 GLU A 24 -9.625 10.032 -2.390 1.00 55.10 O ATOM 0 H GLU A 24 -6.733 9.578 -3.786 1.00 44.10 H new ATOM 0 HA GLU A 24 -7.574 12.299 -3.574 1.00 2.33 H new ATOM 0 HB2 GLU A 24 -6.176 10.254 -1.891 1.00 74.20 H new ATOM 0 HB3 GLU A 24 -5.927 11.934 -1.459 1.00 74.20 H new ATOM 0 HG2 GLU A 24 -7.772 11.368 -0.166 1.00 5.14 H new ATOM 0 HG3 GLU A 24 -8.521 12.132 -1.554 1.00 5.14 H new ATOM 228 N ASP A 25 -4.424 11.662 -4.245 1.00 10.10 N ATOM 229 CA ASP A 25 -3.168 12.265 -4.673 1.00 14.40 C ATOM 230 C ASP A 25 -3.381 13.163 -5.886 1.00 35.40 C ATOM 231 O ASP A 25 -2.996 14.333 -5.880 1.00 14.20 O ATOM 232 CB ASP A 25 -2.143 11.177 -5.004 1.00 25.20 C ATOM 233 CG ASP A 25 -0.727 11.716 -5.058 1.00 11.50 C ATOM 234 OD1 ASP A 25 -0.109 11.869 -3.983 1.00 15.10 O ATOM 235 OD2 ASP A 25 -0.235 11.983 -6.174 1.00 13.10 O ATOM 0 H ASP A 25 -4.432 10.642 -4.268 1.00 10.10 H new ATOM 0 HA ASP A 25 -2.789 12.876 -3.853 1.00 14.40 H new ATOM 0 HB2 ASP A 25 -2.200 10.387 -4.255 1.00 25.20 H new ATOM 0 HB3 ASP A 25 -2.394 10.725 -5.964 1.00 25.20 H new ATOM 240 N LYS A 26 -3.997 12.610 -6.926 1.00 23.20 N ATOM 241 CA LYS A 26 -4.261 13.362 -8.146 1.00 70.10 C ATOM 242 C LYS A 26 -5.192 14.539 -7.870 1.00 42.00 C ATOM 243 O LYS A 26 -5.105 15.580 -8.521 1.00 33.10 O ATOM 244 CB LYS A 26 -4.876 12.451 -9.210 1.00 55.50 C ATOM 245 CG LYS A 26 -3.845 11.766 -10.093 1.00 23.20 C ATOM 246 CD LYS A 26 -3.328 12.702 -11.173 1.00 3.54 C ATOM 247 CE LYS A 26 -2.426 11.974 -12.156 1.00 42.10 C ATOM 248 NZ LYS A 26 -2.050 12.837 -13.310 1.00 3.35 N ATOM 0 H LYS A 26 -4.322 11.644 -6.948 1.00 23.20 H new ATOM 0 HA LYS A 26 -3.312 13.751 -8.514 1.00 70.10 H new ATOM 0 HB2 LYS A 26 -5.484 11.691 -8.719 1.00 55.50 H new ATOM 0 HB3 LYS A 26 -5.546 13.039 -9.837 1.00 55.50 H new ATOM 0 HG2 LYS A 26 -3.012 11.420 -9.481 1.00 23.20 H new ATOM 0 HG3 LYS A 26 -4.289 10.884 -10.556 1.00 23.20 H new ATOM 0 HD2 LYS A 26 -4.170 13.143 -11.707 1.00 3.54 H new ATOM 0 HD3 LYS A 26 -2.778 13.523 -10.712 1.00 3.54 H new ATOM 0 HE2 LYS A 26 -1.524 11.641 -11.643 1.00 42.10 H new ATOM 0 HE3 LYS A 26 -2.933 11.081 -12.521 1.00 42.10 H new ATOM 0 HZ1 LYS A 26 -1.435 12.303 -13.957 1.00 3.35 H new ATOM 0 HZ2 LYS A 26 -2.909 13.134 -13.816 1.00 3.35 H new ATOM 0 HZ3 LYS A 26 -1.543 13.677 -12.965 1.00 3.35 H new ATOM 262 N ALA A 27 -6.083 14.366 -6.899 1.00 62.20 N ATOM 263 CA ALA A 27 -7.031 15.413 -6.536 1.00 1.05 C ATOM 264 C ALA A 27 -6.336 16.544 -5.785 1.00 14.30 C ATOM 265 O ALA A 27 -6.732 17.706 -5.889 1.00 12.10 O ATOM 266 CB ALA A 27 -8.160 14.834 -5.696 1.00 22.10 C ATOM 0 H ALA A 27 -6.168 13.511 -6.350 1.00 62.20 H new ATOM 0 HA ALA A 27 -7.451 15.825 -7.454 1.00 1.05 H new ATOM 0 HB1 ALA A 27 -8.860 15.626 -5.432 1.00 22.10 H new ATOM 0 HB2 ALA A 27 -8.681 14.065 -6.267 1.00 22.10 H new ATOM 0 HB3 ALA A 27 -7.749 14.395 -4.787 1.00 22.10 H new ATOM 272 N GLY A 28 -5.300 16.198 -5.029 1.00 54.00 N ATOM 273 CA GLY A 28 -4.568 17.196 -4.272 1.00 2.30 C ATOM 274 C GLY A 28 -4.301 16.761 -2.844 1.00 73.10 C ATOM 275 O GLY A 28 -3.318 17.180 -2.234 1.00 72.40 O ATOM 0 H GLY A 28 -4.954 15.244 -4.927 1.00 54.00 H new ATOM 0 HA2 GLY A 28 -3.620 17.401 -4.769 1.00 2.30 H new ATOM 0 HA3 GLY A 28 -5.133 18.128 -4.265 1.00 2.30 H new ATOM 279 N ASN A 29 -5.180 15.918 -2.311 1.00 4.13 N ATOM 280 CA ASN A 29 -5.035 15.427 -0.946 1.00 1.54 C ATOM 281 C ASN A 29 -3.721 14.671 -0.776 1.00 32.00 C ATOM 282 O ASN A 29 -3.208 14.077 -1.724 1.00 14.40 O ATOM 283 CB ASN A 29 -6.211 14.517 -0.583 1.00 61.40 C ATOM 284 CG ASN A 29 -7.459 15.300 -0.226 1.00 3.31 C ATOM 285 OD1 ASN A 29 -7.411 16.517 -0.045 1.00 15.40 O ATOM 286 ND2 ASN A 29 -8.584 14.604 -0.121 1.00 4.43 N ATOM 0 H ASN A 29 -5.999 15.561 -2.803 1.00 4.13 H new ATOM 0 HA ASN A 29 -5.028 16.286 -0.276 1.00 1.54 H new ATOM 0 HB2 ASN A 29 -6.428 13.856 -1.422 1.00 61.40 H new ATOM 0 HB3 ASN A 29 -5.930 13.883 0.258 1.00 61.40 H new ATOM 0 HD21 ASN A 29 -9.456 15.077 0.118 1.00 4.43 H new ATOM 0 HD22 ASN A 29 -8.577 13.596 -0.280 1.00 4.43 H new ATOM 293 N TYR A 30 -3.182 14.698 0.439 1.00 33.30 N ATOM 294 CA TYR A 30 -1.927 14.017 0.732 1.00 54.10 C ATOM 295 C TYR A 30 -1.991 13.316 2.086 1.00 64.10 C ATOM 296 O TYR A 30 -1.605 12.154 2.213 1.00 51.20 O ATOM 297 CB TYR A 30 -0.765 15.011 0.715 1.00 43.20 C ATOM 298 CG TYR A 30 -0.646 15.781 -0.581 1.00 61.50 C ATOM 299 CD1 TYR A 30 -0.673 15.127 -1.805 1.00 32.00 C ATOM 300 CD2 TYR A 30 -0.507 17.164 -0.579 1.00 5.52 C ATOM 301 CE1 TYR A 30 -0.564 15.828 -2.992 1.00 52.20 C ATOM 302 CE2 TYR A 30 -0.398 17.871 -1.761 1.00 52.20 C ATOM 303 CZ TYR A 30 -0.427 17.199 -2.964 1.00 44.20 C ATOM 304 OH TYR A 30 -0.319 17.900 -4.143 1.00 65.10 O ATOM 0 H TYR A 30 -3.595 15.184 1.235 1.00 33.30 H new ATOM 0 HA TYR A 30 -1.763 13.265 -0.040 1.00 54.10 H new ATOM 0 HB2 TYR A 30 -0.889 15.716 1.537 1.00 43.20 H new ATOM 0 HB3 TYR A 30 0.165 14.473 0.895 1.00 43.20 H new ATOM 0 HD1 TYR A 30 -0.781 14.053 -1.831 1.00 32.00 H new ATOM 0 HD2 TYR A 30 -0.484 17.694 0.362 1.00 5.52 H new ATOM 0 HE1 TYR A 30 -0.586 15.304 -3.936 1.00 52.20 H new ATOM 0 HE2 TYR A 30 -0.291 18.945 -1.742 1.00 52.20 H new ATOM 0 HH TYR A 30 -0.230 18.856 -3.948 1.00 65.10 H new ATOM 314 N GLU A 31 -2.478 14.031 3.095 1.00 2.12 N ATOM 315 CA GLU A 31 -2.591 13.478 4.440 1.00 62.10 C ATOM 316 C GLU A 31 -3.476 12.236 4.446 1.00 34.20 C ATOM 317 O GLU A 31 -3.083 11.183 4.950 1.00 24.10 O ATOM 318 CB GLU A 31 -3.158 14.527 5.399 1.00 43.10 C ATOM 319 CG GLU A 31 -2.593 14.432 6.807 1.00 42.20 C ATOM 320 CD GLU A 31 -3.044 15.574 7.695 1.00 62.20 C ATOM 321 OE1 GLU A 31 -2.805 16.744 7.326 1.00 4.04 O ATOM 322 OE2 GLU A 31 -3.637 15.300 8.759 1.00 24.00 O ATOM 0 H GLU A 31 -2.801 14.995 3.007 1.00 2.12 H new ATOM 0 HA GLU A 31 -1.593 13.192 4.773 1.00 62.10 H new ATOM 0 HB2 GLU A 31 -2.953 15.520 5.000 1.00 43.10 H new ATOM 0 HB3 GLU A 31 -4.242 14.419 5.443 1.00 43.10 H new ATOM 0 HG2 GLU A 31 -2.899 13.486 7.254 1.00 42.20 H new ATOM 0 HG3 GLU A 31 -1.504 14.423 6.758 1.00 42.20 H new ATOM 329 N GLU A 32 -4.674 12.365 3.884 1.00 32.50 N ATOM 330 CA GLU A 32 -5.614 11.253 3.824 1.00 42.30 C ATOM 331 C GLU A 32 -5.125 10.178 2.859 1.00 45.40 C ATOM 332 O GLU A 32 -5.373 8.990 3.060 1.00 23.00 O ATOM 333 CB GLU A 32 -6.997 11.748 3.398 1.00 63.30 C ATOM 334 CG GLU A 32 -6.972 12.629 2.160 1.00 64.40 C ATOM 335 CD GLU A 32 -7.044 14.106 2.495 1.00 72.00 C ATOM 336 OE1 GLU A 32 -8.170 14.629 2.634 1.00 45.30 O ATOM 337 OE2 GLU A 32 -5.975 14.740 2.617 1.00 45.10 O ATOM 0 H GLU A 32 -5.016 13.229 3.464 1.00 32.50 H new ATOM 0 HA GLU A 32 -5.684 10.816 4.820 1.00 42.30 H new ATOM 0 HB2 GLU A 32 -7.639 10.888 3.209 1.00 63.30 H new ATOM 0 HB3 GLU A 32 -7.444 12.305 4.221 1.00 63.30 H new ATOM 0 HG2 GLU A 32 -6.060 12.432 1.596 1.00 64.40 H new ATOM 0 HG3 GLU A 32 -7.809 12.365 1.514 1.00 64.40 H new ATOM 344 N ALA A 33 -4.428 10.605 1.812 1.00 21.10 N ATOM 345 CA ALA A 33 -3.902 9.680 0.815 1.00 64.50 C ATOM 346 C ALA A 33 -2.749 8.859 1.383 1.00 40.10 C ATOM 347 O ALA A 33 -2.573 7.693 1.033 1.00 10.30 O ATOM 348 CB ALA A 33 -3.451 10.439 -0.423 1.00 23.50 C ATOM 0 H ALA A 33 -4.214 11.586 1.632 1.00 21.10 H new ATOM 0 HA ALA A 33 -4.701 8.993 0.536 1.00 64.50 H new ATOM 0 HB1 ALA A 33 -3.061 9.736 -1.159 1.00 23.50 H new ATOM 0 HB2 ALA A 33 -4.298 10.977 -0.849 1.00 23.50 H new ATOM 0 HB3 ALA A 33 -2.670 11.149 -0.150 1.00 23.50 H new ATOM 354 N LEU A 34 -1.968 9.477 2.264 1.00 24.30 N ATOM 355 CA LEU A 34 -0.832 8.804 2.882 1.00 31.20 C ATOM 356 C LEU A 34 -1.298 7.642 3.754 1.00 44.20 C ATOM 357 O LEU A 34 -0.863 6.504 3.575 1.00 44.40 O ATOM 358 CB LEU A 34 -0.022 9.794 3.722 1.00 33.10 C ATOM 359 CG LEU A 34 1.490 9.561 3.718 1.00 24.10 C ATOM 360 CD1 LEU A 34 2.185 10.554 4.636 1.00 61.20 C ATOM 361 CD2 LEU A 34 1.808 8.133 4.134 1.00 30.40 C ATOM 0 H LEU A 34 -2.101 10.442 2.565 1.00 24.30 H new ATOM 0 HA LEU A 34 -0.199 8.408 2.088 1.00 31.20 H new ATOM 0 HB2 LEU A 34 -0.220 10.802 3.359 1.00 33.10 H new ATOM 0 HB3 LEU A 34 -0.378 9.750 4.751 1.00 33.10 H new ATOM 0 HG LEU A 34 1.861 9.715 2.705 1.00 24.10 H new ATOM 0 HD11 LEU A 34 3.260 10.373 4.621 1.00 61.20 H new ATOM 0 HD12 LEU A 34 1.983 11.569 4.294 1.00 61.20 H new ATOM 0 HD13 LEU A 34 1.811 10.433 5.653 1.00 61.20 H new ATOM 0 HD21 LEU A 34 2.888 7.984 4.126 1.00 30.40 H new ATOM 0 HD22 LEU A 34 1.424 7.952 5.138 1.00 30.40 H new ATOM 0 HD23 LEU A 34 1.340 7.438 3.436 1.00 30.40 H new ATOM 373 N GLN A 35 -2.187 7.936 4.698 1.00 54.00 N ATOM 374 CA GLN A 35 -2.713 6.915 5.596 1.00 33.10 C ATOM 375 C GLN A 35 -3.470 5.844 4.818 1.00 13.10 C ATOM 376 O GLN A 35 -3.336 4.652 5.093 1.00 5.41 O ATOM 377 CB GLN A 35 -3.633 7.550 6.641 1.00 44.20 C ATOM 378 CG GLN A 35 -3.067 8.817 7.260 1.00 2.31 C ATOM 379 CD GLN A 35 -3.717 9.159 8.586 1.00 72.40 C ATOM 380 OE1 GLN A 35 -4.526 10.083 8.675 1.00 54.20 O ATOM 381 NE2 GLN A 35 -3.366 8.412 9.626 1.00 42.50 N ATOM 0 H GLN A 35 -2.558 8.872 4.860 1.00 54.00 H new ATOM 0 HA GLN A 35 -1.871 6.443 6.102 1.00 33.10 H new ATOM 0 HB2 GLN A 35 -4.592 7.779 6.177 1.00 44.20 H new ATOM 0 HB3 GLN A 35 -3.827 6.825 7.431 1.00 44.20 H new ATOM 0 HG2 GLN A 35 -1.993 8.697 7.406 1.00 2.31 H new ATOM 0 HG3 GLN A 35 -3.204 9.648 6.568 1.00 2.31 H new ATOM 0 HE21 GLN A 35 -2.692 7.656 9.507 1.00 42.50 H new ATOM 0 HE22 GLN A 35 -3.771 8.594 10.544 1.00 42.50 H new ATOM 390 N LEU A 36 -4.265 6.278 3.846 1.00 63.40 N ATOM 391 CA LEU A 36 -5.044 5.356 3.027 1.00 13.40 C ATOM 392 C LEU A 36 -4.131 4.390 2.279 1.00 3.41 C ATOM 393 O LEU A 36 -4.481 3.229 2.065 1.00 72.20 O ATOM 394 CB LEU A 36 -5.912 6.130 2.033 1.00 30.20 C ATOM 395 CG LEU A 36 -7.096 6.875 2.650 1.00 31.20 C ATOM 396 CD1 LEU A 36 -7.564 7.991 1.729 1.00 13.10 C ATOM 397 CD2 LEU A 36 -8.235 5.911 2.946 1.00 73.20 C ATOM 0 H LEU A 36 -4.387 7.262 3.606 1.00 63.40 H new ATOM 0 HA LEU A 36 -5.690 4.779 3.689 1.00 13.40 H new ATOM 0 HB2 LEU A 36 -5.283 6.849 1.509 1.00 30.20 H new ATOM 0 HB3 LEU A 36 -6.291 5.433 1.285 1.00 30.20 H new ATOM 0 HG LEU A 36 -6.771 7.322 3.590 1.00 31.20 H new ATOM 0 HD11 LEU A 36 -8.407 8.510 2.185 1.00 13.10 H new ATOM 0 HD12 LEU A 36 -6.748 8.696 1.568 1.00 13.10 H new ATOM 0 HD13 LEU A 36 -7.872 7.568 0.773 1.00 13.10 H new ATOM 0 HD21 LEU A 36 -9.070 6.458 3.385 1.00 73.20 H new ATOM 0 HD22 LEU A 36 -8.559 5.436 2.020 1.00 73.20 H new ATOM 0 HD23 LEU A 36 -7.893 5.148 3.645 1.00 73.20 H new ATOM 409 N TYR A 37 -2.960 4.878 1.884 1.00 4.22 N ATOM 410 CA TYR A 37 -1.995 4.057 1.161 1.00 25.40 C ATOM 411 C TYR A 37 -1.538 2.877 2.012 1.00 13.40 C ATOM 412 O TYR A 37 -1.616 1.724 1.586 1.00 53.20 O ATOM 413 CB TYR A 37 -0.787 4.900 0.746 1.00 61.30 C ATOM 414 CG TYR A 37 -0.922 5.516 -0.629 1.00 21.10 C ATOM 415 CD1 TYR A 37 -1.351 4.760 -1.712 1.00 13.20 C ATOM 416 CD2 TYR A 37 -0.620 6.855 -0.843 1.00 54.40 C ATOM 417 CE1 TYR A 37 -1.476 5.320 -2.969 1.00 44.30 C ATOM 418 CE2 TYR A 37 -0.742 7.422 -2.097 1.00 54.10 C ATOM 419 CZ TYR A 37 -1.170 6.651 -3.157 1.00 63.40 C ATOM 420 OH TYR A 37 -1.291 7.212 -4.407 1.00 23.30 O ATOM 0 H TYR A 37 -2.656 5.837 2.052 1.00 4.22 H new ATOM 0 HA TYR A 37 -2.483 3.669 0.267 1.00 25.40 H new ATOM 0 HB2 TYR A 37 -0.640 5.694 1.478 1.00 61.30 H new ATOM 0 HB3 TYR A 37 0.106 4.276 0.769 1.00 61.30 H new ATOM 0 HD1 TYR A 37 -1.591 3.717 -1.569 1.00 13.20 H new ATOM 0 HD2 TYR A 37 -0.284 7.463 -0.016 1.00 54.40 H new ATOM 0 HE1 TYR A 37 -1.812 4.718 -3.800 1.00 44.30 H new ATOM 0 HE2 TYR A 37 -0.503 8.465 -2.246 1.00 54.10 H new ATOM 0 HH TYR A 37 -1.038 8.158 -4.367 1.00 23.30 H new ATOM 430 N GLN A 38 -1.061 3.173 3.217 1.00 2.24 N ATOM 431 CA GLN A 38 -0.592 2.136 4.129 1.00 63.20 C ATOM 432 C GLN A 38 -1.711 1.152 4.456 1.00 35.10 C ATOM 433 O GLN A 38 -1.461 -0.030 4.693 1.00 21.50 O ATOM 434 CB GLN A 38 -0.059 2.765 5.417 1.00 64.20 C ATOM 435 CG GLN A 38 1.276 3.473 5.241 1.00 13.10 C ATOM 436 CD GLN A 38 1.635 4.343 6.430 1.00 64.30 C ATOM 437 OE1 GLN A 38 1.574 3.901 7.577 1.00 70.50 O ATOM 438 NE2 GLN A 38 2.012 5.587 6.159 1.00 33.20 N ATOM 0 H GLN A 38 -0.989 4.122 3.584 1.00 2.24 H new ATOM 0 HA GLN A 38 0.214 1.591 3.637 1.00 63.20 H new ATOM 0 HB2 GLN A 38 -0.792 3.478 5.794 1.00 64.20 H new ATOM 0 HB3 GLN A 38 0.048 1.988 6.174 1.00 64.20 H new ATOM 0 HG2 GLN A 38 2.060 2.731 5.089 1.00 13.10 H new ATOM 0 HG3 GLN A 38 1.241 4.089 4.342 1.00 13.10 H new ATOM 0 HE21 GLN A 38 2.048 5.910 5.192 1.00 33.20 H new ATOM 0 HE22 GLN A 38 2.266 6.220 6.918 1.00 33.20 H new ATOM 447 N HIS A 39 -2.944 1.648 4.466 1.00 32.10 N ATOM 448 CA HIS A 39 -4.101 0.811 4.764 1.00 24.30 C ATOM 449 C HIS A 39 -4.450 -0.077 3.575 1.00 65.30 C ATOM 450 O HIS A 39 -4.892 -1.214 3.746 1.00 20.00 O ATOM 451 CB HIS A 39 -5.303 1.682 5.135 1.00 10.40 C ATOM 452 CG HIS A 39 -5.226 2.250 6.517 1.00 31.50 C ATOM 453 ND1 HIS A 39 -6.251 2.972 7.092 1.00 34.10 N ATOM 454 CD2 HIS A 39 -4.239 2.199 7.443 1.00 73.00 C ATOM 455 CE1 HIS A 39 -5.896 3.342 8.311 1.00 71.10 C ATOM 456 NE2 HIS A 39 -4.681 2.884 8.548 1.00 42.20 N ATOM 0 H HIS A 39 -3.168 2.624 4.271 1.00 32.10 H new ATOM 0 HA HIS A 39 -3.849 0.172 5.610 1.00 24.30 H new ATOM 0 HB2 HIS A 39 -5.384 2.500 4.419 1.00 10.40 H new ATOM 0 HB3 HIS A 39 -6.213 1.089 5.045 1.00 10.40 H new ATOM 0 HD2 HIS A 39 -3.282 1.710 7.333 1.00 73.00 H new ATOM 0 HE1 HIS A 39 -6.498 3.921 8.996 1.00 71.10 H new ATOM 0 HE2 HIS A 39 -4.156 3.017 9.412 1.00 42.20 H new ATOM 465 N ALA A 40 -4.248 0.446 2.370 1.00 75.50 N ATOM 466 CA ALA A 40 -4.542 -0.301 1.154 1.00 53.50 C ATOM 467 C ALA A 40 -3.461 -1.339 0.873 1.00 53.20 C ATOM 468 O ALA A 40 -3.746 -2.426 0.370 1.00 40.10 O ATOM 469 CB ALA A 40 -4.682 0.649 -0.026 1.00 12.10 C ATOM 0 H ALA A 40 -3.882 1.384 2.210 1.00 75.50 H new ATOM 0 HA ALA A 40 -5.486 -0.827 1.299 1.00 53.50 H new ATOM 0 HB1 ALA A 40 -4.902 0.078 -0.928 1.00 12.10 H new ATOM 0 HB2 ALA A 40 -5.494 1.351 0.166 1.00 12.10 H new ATOM 0 HB3 ALA A 40 -3.751 1.199 -0.162 1.00 12.10 H new ATOM 475 N VAL A 41 -2.219 -0.996 1.200 1.00 74.20 N ATOM 476 CA VAL A 41 -1.095 -1.899 0.983 1.00 63.10 C ATOM 477 C VAL A 41 -1.150 -3.085 1.939 1.00 62.10 C ATOM 478 O VAL A 41 -0.904 -4.226 1.545 1.00 74.40 O ATOM 479 CB VAL A 41 0.252 -1.172 1.158 1.00 20.40 C ATOM 480 CG1 VAL A 41 1.406 -2.084 0.772 1.00 14.10 C ATOM 481 CG2 VAL A 41 0.279 0.111 0.339 1.00 63.20 C ATOM 0 H VAL A 41 -1.966 -0.100 1.616 1.00 74.20 H new ATOM 0 HA VAL A 41 -1.173 -2.260 -0.043 1.00 63.10 H new ATOM 0 HB VAL A 41 0.365 -0.906 2.209 1.00 20.40 H new ATOM 0 HG11 VAL A 41 2.349 -1.553 0.902 1.00 14.10 H new ATOM 0 HG12 VAL A 41 1.398 -2.970 1.407 1.00 14.10 H new ATOM 0 HG13 VAL A 41 1.300 -2.384 -0.270 1.00 14.10 H new ATOM 0 HG21 VAL A 41 1.238 0.610 0.476 1.00 63.20 H new ATOM 0 HG22 VAL A 41 0.141 -0.128 -0.716 1.00 63.20 H new ATOM 0 HG23 VAL A 41 -0.523 0.771 0.670 1.00 63.20 H new ATOM 491 N GLN A 42 -1.473 -2.810 3.199 1.00 14.20 N ATOM 492 CA GLN A 42 -1.559 -3.856 4.211 1.00 13.30 C ATOM 493 C GLN A 42 -2.656 -4.857 3.868 1.00 72.30 C ATOM 494 O GLN A 42 -2.460 -6.068 3.976 1.00 42.40 O ATOM 495 CB GLN A 42 -1.823 -3.243 5.588 1.00 73.40 C ATOM 496 CG GLN A 42 -3.096 -2.417 5.652 1.00 23.20 C ATOM 497 CD GLN A 42 -3.328 -1.809 7.022 1.00 12.10 C ATOM 498 OE1 GLN A 42 -4.408 -1.941 7.598 1.00 54.20 O ATOM 499 NE2 GLN A 42 -2.313 -1.136 7.550 1.00 72.30 N ATOM 0 H GLN A 42 -1.679 -1.872 3.543 1.00 14.20 H new ATOM 0 HA GLN A 42 -0.606 -4.384 4.233 1.00 13.30 H new ATOM 0 HB2 GLN A 42 -1.881 -4.042 6.327 1.00 73.40 H new ATOM 0 HB3 GLN A 42 -0.977 -2.614 5.864 1.00 73.40 H new ATOM 0 HG2 GLN A 42 -3.046 -1.621 4.909 1.00 23.20 H new ATOM 0 HG3 GLN A 42 -3.946 -3.046 5.389 1.00 23.20 H new ATOM 0 HE21 GLN A 42 -1.435 -1.052 7.037 1.00 72.30 H new ATOM 0 HE22 GLN A 42 -2.411 -0.703 8.468 1.00 72.30 H new ATOM 508 N TYR A 43 -3.811 -4.347 3.451 1.00 54.40 N ATOM 509 CA TYR A 43 -4.937 -5.199 3.090 1.00 14.00 C ATOM 510 C TYR A 43 -4.565 -6.128 1.940 1.00 73.10 C ATOM 511 O TYR A 43 -4.996 -7.281 1.895 1.00 63.20 O ATOM 512 CB TYR A 43 -6.148 -4.348 2.702 1.00 53.30 C ATOM 513 CG TYR A 43 -7.132 -4.142 3.832 1.00 40.00 C ATOM 514 CD1 TYR A 43 -6.817 -3.330 4.914 1.00 1.42 C ATOM 515 CD2 TYR A 43 -8.376 -4.760 3.815 1.00 33.20 C ATOM 516 CE1 TYR A 43 -7.714 -3.140 5.948 1.00 63.30 C ATOM 517 CE2 TYR A 43 -9.278 -4.574 4.845 1.00 72.30 C ATOM 518 CZ TYR A 43 -8.943 -3.763 5.909 1.00 62.20 C ATOM 519 OH TYR A 43 -9.839 -3.576 6.936 1.00 75.20 O ATOM 0 H TYR A 43 -3.991 -3.348 3.355 1.00 54.40 H new ATOM 0 HA TYR A 43 -5.194 -5.806 3.958 1.00 14.00 H new ATOM 0 HB2 TYR A 43 -5.801 -3.376 2.352 1.00 53.30 H new ATOM 0 HB3 TYR A 43 -6.662 -4.823 1.866 1.00 53.30 H new ATOM 0 HD1 TYR A 43 -5.856 -2.839 4.948 1.00 1.42 H new ATOM 0 HD2 TYR A 43 -8.642 -5.396 2.984 1.00 33.20 H new ATOM 0 HE1 TYR A 43 -7.453 -2.506 6.783 1.00 63.30 H new ATOM 0 HE2 TYR A 43 -10.241 -5.062 4.817 1.00 72.30 H new ATOM 0 HH TYR A 43 -10.657 -4.084 6.753 1.00 75.20 H new ATOM 529 N PHE A 44 -3.765 -5.618 1.014 1.00 62.10 N ATOM 530 CA PHE A 44 -3.332 -6.398 -0.140 1.00 45.10 C ATOM 531 C PHE A 44 -2.594 -7.659 0.302 1.00 44.40 C ATOM 532 O PHE A 44 -2.926 -8.765 -0.125 1.00 73.30 O ATOM 533 CB PHE A 44 -2.431 -5.551 -1.038 1.00 54.40 C ATOM 534 CG PHE A 44 -3.119 -5.048 -2.276 1.00 20.30 C ATOM 535 CD1 PHE A 44 -3.755 -5.930 -3.136 1.00 31.10 C ATOM 536 CD2 PHE A 44 -3.129 -3.697 -2.579 1.00 61.10 C ATOM 537 CE1 PHE A 44 -4.388 -5.471 -4.275 1.00 42.40 C ATOM 538 CE2 PHE A 44 -3.760 -3.233 -3.718 1.00 62.30 C ATOM 539 CZ PHE A 44 -4.391 -4.121 -4.566 1.00 73.30 C ATOM 0 H PHE A 44 -3.401 -4.665 1.038 1.00 62.10 H new ATOM 0 HA PHE A 44 -4.217 -6.698 -0.702 1.00 45.10 H new ATOM 0 HB2 PHE A 44 -2.060 -4.700 -0.467 1.00 54.40 H new ATOM 0 HB3 PHE A 44 -1.563 -6.142 -1.329 1.00 54.40 H new ATOM 0 HD1 PHE A 44 -3.756 -6.987 -2.913 1.00 31.10 H new ATOM 0 HD2 PHE A 44 -2.638 -2.998 -1.918 1.00 61.10 H new ATOM 0 HE1 PHE A 44 -4.880 -6.168 -4.937 1.00 42.40 H new ATOM 0 HE2 PHE A 44 -3.759 -2.177 -3.944 1.00 62.30 H new ATOM 0 HZ PHE A 44 -4.886 -3.761 -5.456 1.00 73.30 H new ATOM 549 N LEU A 45 -1.593 -7.483 1.158 1.00 55.00 N ATOM 550 CA LEU A 45 -0.808 -8.606 1.658 1.00 73.10 C ATOM 551 C LEU A 45 -1.655 -9.511 2.547 1.00 41.20 C ATOM 552 O LEU A 45 -1.418 -10.709 2.628 1.00 73.40 O ATOM 553 CB LEU A 45 0.406 -8.098 2.437 1.00 20.00 C ATOM 554 CG LEU A 45 1.614 -7.718 1.579 1.00 62.30 C ATOM 555 CD1 LEU A 45 2.710 -7.110 2.440 1.00 3.43 C ATOM 556 CD2 LEU A 45 2.136 -8.932 0.827 1.00 34.20 C ATOM 0 H LEU A 45 -1.306 -6.574 1.520 1.00 55.00 H new ATOM 0 HA LEU A 45 -0.466 -9.187 0.802 1.00 73.10 H new ATOM 0 HB2 LEU A 45 0.106 -7.228 3.020 1.00 20.00 H new ATOM 0 HB3 LEU A 45 0.711 -8.867 3.146 1.00 20.00 H new ATOM 0 HG LEU A 45 1.298 -6.972 0.850 1.00 62.30 H new ATOM 0 HD11 LEU A 45 3.561 -6.846 1.813 1.00 3.43 H new ATOM 0 HD12 LEU A 45 2.331 -6.215 2.933 1.00 3.43 H new ATOM 0 HD13 LEU A 45 3.025 -7.833 3.193 1.00 3.43 H new ATOM 0 HD21 LEU A 45 2.995 -8.643 0.222 1.00 34.20 H new ATOM 0 HD22 LEU A 45 2.436 -9.700 1.540 1.00 34.20 H new ATOM 0 HD23 LEU A 45 1.352 -9.324 0.180 1.00 34.20 H new ATOM 568 N HIS A 46 -2.646 -8.924 3.210 1.00 24.40 N ATOM 569 CA HIS A 46 -3.528 -9.679 4.093 1.00 74.50 C ATOM 570 C HIS A 46 -4.219 -10.810 3.338 1.00 63.00 C ATOM 571 O HIS A 46 -4.159 -11.963 3.741 1.00 3.41 O ATOM 572 CB HIS A 46 -4.574 -8.754 4.716 1.00 12.00 C ATOM 573 CG HIS A 46 -5.245 -9.335 5.922 1.00 2.33 C ATOM 574 ND1 HIS A 46 -4.811 -9.100 7.212 1.00 54.40 N ATOM 575 CD2 HIS A 46 -6.325 -10.144 6.032 1.00 42.40 C ATOM 576 CE1 HIS A 46 -5.595 -9.742 8.061 1.00 44.30 C ATOM 577 NE2 HIS A 46 -6.521 -10.381 7.371 1.00 13.00 N ATOM 0 H HIS A 46 -2.859 -7.928 3.153 1.00 24.40 H new ATOM 0 HA HIS A 46 -2.919 -10.115 4.885 1.00 74.50 H new ATOM 0 HB2 HIS A 46 -4.097 -7.814 4.993 1.00 12.00 H new ATOM 0 HB3 HIS A 46 -5.331 -8.518 3.968 1.00 12.00 H new ATOM 0 HD2 HIS A 46 -6.921 -10.531 5.219 1.00 42.40 H new ATOM 0 HE1 HIS A 46 -5.495 -9.743 9.136 1.00 44.30 H new ATOM 0 HE2 HIS A 46 -7.263 -10.958 7.768 1.00 13.00 H new ATOM 586 N VAL A 47 -4.879 -10.463 2.237 1.00 71.50 N ATOM 587 CA VAL A 47 -5.581 -11.449 1.425 1.00 61.50 C ATOM 588 C VAL A 47 -4.607 -12.452 0.817 1.00 60.00 C ATOM 589 O VAL A 47 -4.932 -13.623 0.665 1.00 71.20 O ATOM 590 CB VAL A 47 -6.380 -10.778 0.291 1.00 23.50 C ATOM 591 CG1 VAL A 47 -7.614 -10.084 0.847 1.00 14.20 C ATOM 592 CG2 VAL A 47 -5.503 -9.795 -0.471 1.00 62.40 C ATOM 0 H VAL A 47 -4.942 -9.507 1.888 1.00 71.50 H new ATOM 0 HA VAL A 47 -6.272 -11.970 2.088 1.00 61.50 H new ATOM 0 HB VAL A 47 -6.708 -11.550 -0.405 1.00 23.50 H new ATOM 0 HG11 VAL A 47 -8.166 -9.616 0.032 1.00 14.20 H new ATOM 0 HG12 VAL A 47 -8.251 -10.816 1.343 1.00 14.20 H new ATOM 0 HG13 VAL A 47 -7.310 -9.322 1.565 1.00 14.20 H new ATOM 0 HG21 VAL A 47 -6.084 -9.331 -1.268 1.00 62.40 H new ATOM 0 HG22 VAL A 47 -5.142 -9.025 0.211 1.00 62.40 H new ATOM 0 HG23 VAL A 47 -4.653 -10.324 -0.903 1.00 62.40 H new ATOM 602 N VAL A 48 -3.417 -11.972 0.470 1.00 52.10 N ATOM 603 CA VAL A 48 -2.396 -12.828 -0.119 1.00 33.10 C ATOM 604 C VAL A 48 -1.959 -13.912 0.858 1.00 65.40 C ATOM 605 O VAL A 48 -1.670 -15.042 0.460 1.00 1.44 O ATOM 606 CB VAL A 48 -1.161 -12.014 -0.552 1.00 24.40 C ATOM 607 CG1 VAL A 48 -0.170 -12.898 -1.299 1.00 70.10 C ATOM 608 CG2 VAL A 48 -1.575 -10.829 -1.403 1.00 72.20 C ATOM 0 H VAL A 48 -3.137 -10.998 0.586 1.00 52.10 H new ATOM 0 HA VAL A 48 -2.841 -13.293 -0.999 1.00 33.10 H new ATOM 0 HB VAL A 48 -0.669 -11.634 0.343 1.00 24.40 H new ATOM 0 HG11 VAL A 48 0.695 -12.305 -1.596 1.00 70.10 H new ATOM 0 HG12 VAL A 48 0.154 -13.711 -0.649 1.00 70.10 H new ATOM 0 HG13 VAL A 48 -0.649 -13.312 -2.187 1.00 70.10 H new ATOM 0 HG21 VAL A 48 -0.689 -10.267 -1.699 1.00 72.20 H new ATOM 0 HG22 VAL A 48 -2.094 -11.184 -2.293 1.00 72.20 H new ATOM 0 HG23 VAL A 48 -2.240 -10.183 -0.829 1.00 72.20 H new ATOM 618 N LYS A 49 -1.909 -13.563 2.139 1.00 2.14 N ATOM 619 CA LYS A 49 -1.504 -14.513 3.175 1.00 52.30 C ATOM 620 C LYS A 49 -2.591 -15.556 3.411 1.00 2.04 C ATOM 621 O LYS A 49 -2.301 -16.698 3.756 1.00 23.10 O ATOM 622 CB LYS A 49 -1.201 -13.769 4.479 1.00 62.20 C ATOM 623 CG LYS A 49 0.054 -12.914 4.414 1.00 60.30 C ATOM 624 CD LYS A 49 0.270 -12.144 5.707 1.00 63.30 C ATOM 625 CE LYS A 49 -0.692 -10.971 5.827 1.00 5.02 C ATOM 626 NZ LYS A 49 -1.884 -11.317 6.650 1.00 72.20 N ATOM 0 H LYS A 49 -2.143 -12.633 2.487 1.00 2.14 H new ATOM 0 HA LYS A 49 -0.604 -15.026 2.836 1.00 52.30 H new ATOM 0 HB2 LYS A 49 -2.050 -13.134 4.731 1.00 62.20 H new ATOM 0 HB3 LYS A 49 -1.095 -14.495 5.285 1.00 62.20 H new ATOM 0 HG2 LYS A 49 0.918 -13.549 4.218 1.00 60.30 H new ATOM 0 HG3 LYS A 49 -0.023 -12.215 3.581 1.00 60.30 H new ATOM 0 HD2 LYS A 49 0.136 -12.814 6.557 1.00 63.30 H new ATOM 0 HD3 LYS A 49 1.296 -11.779 5.747 1.00 63.30 H new ATOM 0 HE2 LYS A 49 -0.176 -10.121 6.274 1.00 5.02 H new ATOM 0 HE3 LYS A 49 -1.014 -10.661 4.833 1.00 5.02 H new ATOM 0 HZ1 LYS A 49 -2.214 -10.471 7.156 1.00 72.20 H new ATOM 0 HZ2 LYS A 49 -2.643 -11.668 6.032 1.00 72.20 H new ATOM 0 HZ3 LYS A 49 -1.629 -12.054 7.338 1.00 72.20 H new ATOM 640 N TYR A 50 -3.843 -15.152 3.223 1.00 32.20 N ATOM 641 CA TYR A 50 -4.973 -16.056 3.417 1.00 12.20 C ATOM 642 C TYR A 50 -5.728 -16.272 2.110 1.00 73.20 C ATOM 643 O TYR A 50 -6.941 -16.488 2.109 1.00 14.30 O ATOM 644 CB TYR A 50 -5.920 -15.501 4.481 1.00 62.10 C ATOM 645 CG TYR A 50 -5.278 -15.344 5.842 1.00 44.00 C ATOM 646 CD1 TYR A 50 -4.245 -14.433 6.041 1.00 11.20 C ATOM 647 CD2 TYR A 50 -5.706 -16.099 6.924 1.00 4.14 C ATOM 648 CE1 TYR A 50 -3.653 -14.292 7.284 1.00 54.20 C ATOM 649 CE2 TYR A 50 -5.121 -15.960 8.169 1.00 33.10 C ATOM 650 CZ TYR A 50 -4.098 -15.049 8.342 1.00 3.53 C ATOM 651 OH TYR A 50 -3.511 -14.912 9.581 1.00 14.50 O ATOM 0 H TYR A 50 -4.101 -14.208 2.937 1.00 32.20 H new ATOM 0 HA TYR A 50 -4.584 -17.017 3.753 1.00 12.20 H new ATOM 0 HB2 TYR A 50 -6.295 -14.532 4.152 1.00 62.10 H new ATOM 0 HB3 TYR A 50 -6.782 -16.163 4.569 1.00 62.10 H new ATOM 0 HD1 TYR A 50 -3.901 -13.828 5.215 1.00 11.20 H new ATOM 0 HD2 TYR A 50 -6.510 -16.808 6.792 1.00 4.14 H new ATOM 0 HE1 TYR A 50 -2.844 -13.590 7.422 1.00 54.20 H new ATOM 0 HE2 TYR A 50 -5.462 -16.560 9.000 1.00 33.10 H new ATOM 0 HH TYR A 50 -3.944 -15.519 10.217 1.00 14.50 H new ATOM 661 N GLU A 51 -5.008 -16.202 0.995 1.00 23.30 N ATOM 662 CA GLU A 51 -5.611 -16.387 -0.321 1.00 3.34 C ATOM 663 C GLU A 51 -4.555 -16.311 -1.418 1.00 74.30 C ATOM 664 O GLU A 51 -4.398 -15.282 -2.074 1.00 2.21 O ATOM 665 CB GLU A 51 -6.692 -15.331 -0.564 1.00 14.10 C ATOM 666 CG GLU A 51 -7.857 -15.837 -1.401 1.00 21.40 C ATOM 667 CD GLU A 51 -8.924 -16.515 -0.564 1.00 70.40 C ATOM 668 OE1 GLU A 51 -8.714 -17.680 -0.167 1.00 43.50 O ATOM 669 OE2 GLU A 51 -9.965 -15.879 -0.301 1.00 43.20 O ATOM 0 H GLU A 51 -4.005 -16.018 0.976 1.00 23.30 H new ATOM 0 HA GLU A 51 -6.067 -17.377 -0.348 1.00 3.34 H new ATOM 0 HB2 GLU A 51 -7.070 -14.982 0.397 1.00 14.10 H new ATOM 0 HB3 GLU A 51 -6.244 -14.471 -1.062 1.00 14.10 H new ATOM 0 HG2 GLU A 51 -8.301 -15.001 -1.942 1.00 21.40 H new ATOM 0 HG3 GLU A 51 -7.486 -16.539 -2.148 1.00 21.40 H new ATOM 676 N ALA A 52 -3.821 -17.408 -1.602 1.00 20.10 N ATOM 677 CA ALA A 52 -2.781 -17.466 -2.621 1.00 11.50 C ATOM 678 C ALA A 52 -3.112 -18.511 -3.685 1.00 24.10 C ATOM 679 O ALA A 52 -3.201 -19.698 -3.394 1.00 12.10 O ATOM 680 CB ALA A 52 -1.439 -17.780 -1.985 1.00 12.10 C ATOM 0 H ALA A 52 -3.929 -18.265 -1.059 1.00 20.10 H new ATOM 0 HA ALA A 52 -2.728 -16.491 -3.104 1.00 11.50 H new ATOM 0 HB1 ALA A 52 -0.671 -17.820 -2.757 1.00 12.10 H new ATOM 0 HB2 ALA A 52 -1.188 -17.003 -1.263 1.00 12.10 H new ATOM 0 HB3 ALA A 52 -1.494 -18.743 -1.477 1.00 12.10 H new ATOM 686 N GLN A 53 -3.297 -18.049 -4.922 1.00 42.30 N ATOM 687 CA GLN A 53 -3.615 -18.942 -6.027 1.00 12.20 C ATOM 688 C GLN A 53 -2.355 -19.343 -6.781 1.00 33.00 C ATOM 689 O GLN A 53 -1.979 -20.521 -6.790 1.00 13.00 O ATOM 690 CB GLN A 53 -4.604 -18.262 -6.989 1.00 73.40 C ATOM 691 CG GLN A 53 -5.916 -17.873 -6.332 1.00 0.12 C ATOM 692 CD GLN A 53 -7.039 -18.834 -6.671 1.00 71.10 C ATOM 693 OE1 GLN A 53 -8.172 -18.418 -6.930 1.00 41.40 O ATOM 694 NE2 GLN A 53 -6.731 -20.130 -6.672 1.00 32.10 N ATOM 0 H GLN A 53 -3.232 -17.064 -5.179 1.00 42.30 H new ATOM 0 HA GLN A 53 -4.073 -19.842 -5.616 1.00 12.20 H new ATOM 0 HB2 GLN A 53 -4.137 -17.370 -7.407 1.00 73.40 H new ATOM 0 HB3 GLN A 53 -4.809 -18.934 -7.822 1.00 73.40 H new ATOM 0 HG2 GLN A 53 -5.782 -17.841 -5.251 1.00 0.12 H new ATOM 0 HG3 GLN A 53 -6.194 -16.868 -6.648 1.00 0.12 H new ATOM 0 HE21 GLN A 53 -5.781 -20.429 -6.452 1.00 32.10 H new ATOM 0 HE22 GLN A 53 -7.445 -20.824 -6.893 1.00 32.10 H new ATOM 703 N GLY A 54 -1.713 -18.378 -7.419 1.00 31.20 N ATOM 704 CA GLY A 54 -0.499 -18.652 -8.164 1.00 12.40 C ATOM 705 C GLY A 54 0.582 -17.621 -7.926 1.00 60.30 C ATOM 706 O GLY A 54 0.727 -17.104 -6.814 1.00 73.40 O ATOM 0 H GLY A 54 -2.012 -17.403 -7.435 1.00 31.20 H new ATOM 0 HA2 GLY A 54 -0.123 -19.637 -7.886 1.00 12.40 H new ATOM 0 HA3 GLY A 54 -0.732 -18.688 -9.228 1.00 12.40 H new ATOM 710 N ASP A 55 1.343 -17.315 -8.970 1.00 73.20 N ATOM 711 CA ASP A 55 2.417 -16.332 -8.868 1.00 1.43 C ATOM 712 C ASP A 55 2.010 -15.008 -9.506 1.00 15.10 C ATOM 713 O ASP A 55 2.435 -13.939 -9.077 1.00 60.00 O ATOM 714 CB ASP A 55 3.692 -16.861 -9.532 1.00 73.50 C ATOM 715 CG ASP A 55 3.491 -17.134 -11.014 1.00 71.40 C ATOM 716 OD1 ASP A 55 3.447 -16.168 -11.800 1.00 73.10 O ATOM 717 OD2 ASP A 55 3.379 -18.321 -11.389 1.00 41.00 O ATOM 0 H ASP A 55 1.238 -17.732 -9.895 1.00 73.20 H new ATOM 0 HA ASP A 55 2.613 -16.159 -7.810 1.00 1.43 H new ATOM 0 HB2 ASP A 55 4.496 -16.136 -9.403 1.00 73.50 H new ATOM 0 HB3 ASP A 55 4.007 -17.778 -9.034 1.00 73.50 H new ATOM 722 N LYS A 56 1.174 -15.083 -10.539 1.00 63.40 N ATOM 723 CA LYS A 56 0.703 -13.892 -11.241 1.00 23.50 C ATOM 724 C LYS A 56 -0.051 -12.967 -10.290 1.00 44.20 C ATOM 725 O LYS A 56 0.136 -11.759 -10.313 1.00 21.10 O ATOM 726 CB LYS A 56 -0.187 -14.290 -12.411 1.00 52.20 C ATOM 727 CG LYS A 56 0.536 -15.052 -13.508 1.00 43.30 C ATOM 728 CD LYS A 56 0.375 -16.556 -13.338 1.00 54.50 C ATOM 729 CE LYS A 56 0.226 -17.252 -14.676 1.00 64.10 C ATOM 730 NZ LYS A 56 -1.133 -17.044 -15.259 1.00 64.30 N ATOM 0 H LYS A 56 0.808 -15.960 -10.909 1.00 63.40 H new ATOM 0 HA LYS A 56 1.569 -13.353 -11.625 1.00 23.50 H new ATOM 0 HB2 LYS A 56 -1.007 -14.903 -12.038 1.00 52.20 H new ATOM 0 HB3 LYS A 56 -0.630 -13.391 -12.839 1.00 52.20 H new ATOM 0 HG2 LYS A 56 0.146 -14.750 -14.480 1.00 43.30 H new ATOM 0 HG3 LYS A 56 1.595 -14.794 -13.495 1.00 43.30 H new ATOM 0 HD2 LYS A 56 1.240 -16.959 -12.811 1.00 54.50 H new ATOM 0 HD3 LYS A 56 -0.499 -16.762 -12.720 1.00 54.50 H new ATOM 0 HE2 LYS A 56 0.980 -16.876 -15.368 1.00 64.10 H new ATOM 0 HE3 LYS A 56 0.410 -18.319 -14.553 1.00 64.10 H new ATOM 0 HZ1 LYS A 56 -1.220 -17.590 -16.140 1.00 64.30 H new ATOM 0 HZ2 LYS A 56 -1.854 -17.363 -14.581 1.00 64.30 H new ATOM 0 HZ3 LYS A 56 -1.273 -16.034 -15.462 1.00 64.30 H new ATOM 744 N ALA A 57 -0.909 -13.557 -9.461 1.00 11.30 N ATOM 745 CA ALA A 57 -1.696 -12.792 -8.508 1.00 21.40 C ATOM 746 C ALA A 57 -0.798 -12.086 -7.501 1.00 35.00 C ATOM 747 O ALA A 57 -0.922 -10.880 -7.280 1.00 32.10 O ATOM 748 CB ALA A 57 -2.689 -13.689 -7.790 1.00 44.20 C ATOM 0 H ALA A 57 -1.074 -14.563 -9.433 1.00 11.30 H new ATOM 0 HA ALA A 57 -2.249 -12.034 -9.063 1.00 21.40 H new ATOM 0 HB1 ALA A 57 -3.268 -13.097 -7.081 1.00 44.20 H new ATOM 0 HB2 ALA A 57 -3.361 -14.143 -8.518 1.00 44.20 H new ATOM 0 HB3 ALA A 57 -2.151 -14.472 -7.255 1.00 44.20 H new ATOM 754 N LYS A 58 0.105 -12.838 -6.891 1.00 50.50 N ATOM 755 CA LYS A 58 1.024 -12.281 -5.906 1.00 62.30 C ATOM 756 C LYS A 58 1.931 -11.232 -6.537 1.00 51.40 C ATOM 757 O LYS A 58 2.337 -10.276 -5.881 1.00 33.30 O ATOM 758 CB LYS A 58 1.872 -13.394 -5.287 1.00 10.50 C ATOM 759 CG LYS A 58 1.059 -14.425 -4.519 1.00 34.10 C ATOM 760 CD LYS A 58 1.906 -15.626 -4.125 1.00 21.10 C ATOM 761 CE LYS A 58 1.338 -16.331 -2.905 1.00 50.20 C ATOM 762 NZ LYS A 58 1.943 -15.832 -1.639 1.00 21.10 N ATOM 0 H LYS A 58 0.223 -13.837 -7.060 1.00 50.50 H new ATOM 0 HA LYS A 58 0.433 -11.802 -5.126 1.00 62.30 H new ATOM 0 HB2 LYS A 58 2.428 -13.898 -6.078 1.00 10.50 H new ATOM 0 HB3 LYS A 58 2.606 -12.949 -4.615 1.00 10.50 H new ATOM 0 HG2 LYS A 58 0.640 -13.965 -3.624 1.00 34.10 H new ATOM 0 HG3 LYS A 58 0.219 -14.756 -5.130 1.00 34.10 H new ATOM 0 HD2 LYS A 58 1.958 -16.325 -4.959 1.00 21.10 H new ATOM 0 HD3 LYS A 58 2.926 -15.301 -3.917 1.00 21.10 H new ATOM 0 HE2 LYS A 58 0.258 -16.186 -2.873 1.00 50.20 H new ATOM 0 HE3 LYS A 58 1.513 -17.403 -2.992 1.00 50.20 H new ATOM 0 HZ1 LYS A 58 1.515 -16.328 -0.831 1.00 21.10 H new ATOM 0 HZ2 LYS A 58 2.968 -16.009 -1.651 1.00 21.10 H new ATOM 0 HZ3 LYS A 58 1.769 -14.810 -1.550 1.00 21.10 H new ATOM 776 N GLN A 59 2.247 -11.421 -7.814 1.00 34.50 N ATOM 777 CA GLN A 59 3.106 -10.492 -8.534 1.00 54.30 C ATOM 778 C GLN A 59 2.404 -9.153 -8.740 1.00 21.10 C ATOM 779 O GLN A 59 3.044 -8.103 -8.768 1.00 25.50 O ATOM 780 CB GLN A 59 3.510 -11.074 -9.887 1.00 62.30 C ATOM 781 CG GLN A 59 4.537 -10.240 -10.632 1.00 70.40 C ATOM 782 CD GLN A 59 5.957 -10.529 -10.200 1.00 54.10 C ATOM 783 OE1 GLN A 59 6.404 -11.680 -10.224 1.00 22.10 O ATOM 784 NE2 GLN A 59 6.682 -9.494 -9.797 1.00 13.20 N ATOM 0 H GLN A 59 1.920 -12.211 -8.371 1.00 34.50 H new ATOM 0 HA GLN A 59 4.002 -10.331 -7.934 1.00 54.30 H new ATOM 0 HB2 GLN A 59 3.911 -12.076 -9.736 1.00 62.30 H new ATOM 0 HB3 GLN A 59 2.620 -11.177 -10.508 1.00 62.30 H new ATOM 0 HG2 GLN A 59 4.443 -10.428 -11.702 1.00 70.40 H new ATOM 0 HG3 GLN A 59 4.323 -9.183 -10.474 1.00 70.40 H new ATOM 0 HE21 GLN A 59 6.276 -8.558 -9.792 1.00 13.20 H new ATOM 0 HE22 GLN A 59 7.645 -9.634 -9.492 1.00 13.20 H new ATOM 793 N SER A 60 1.084 -9.200 -8.885 1.00 33.40 N ATOM 794 CA SER A 60 0.294 -7.992 -9.089 1.00 12.30 C ATOM 795 C SER A 60 0.166 -7.198 -7.792 1.00 61.20 C ATOM 796 O SER A 60 0.500 -6.015 -7.741 1.00 54.20 O ATOM 797 CB SER A 60 -1.095 -8.349 -9.621 1.00 41.30 C ATOM 798 OG SER A 60 -1.036 -8.728 -10.983 1.00 15.10 O ATOM 0 H SER A 60 0.539 -10.062 -8.865 1.00 33.40 H new ATOM 0 HA SER A 60 0.809 -7.372 -9.823 1.00 12.30 H new ATOM 0 HB2 SER A 60 -1.516 -9.164 -9.031 1.00 41.30 H new ATOM 0 HB3 SER A 60 -1.762 -7.495 -9.506 1.00 41.30 H new ATOM 0 HG SER A 60 -1.936 -8.953 -11.299 1.00 15.10 H new ATOM 804 N ILE A 61 -0.323 -7.857 -6.746 1.00 42.10 N ATOM 805 CA ILE A 61 -0.496 -7.212 -5.450 1.00 52.20 C ATOM 806 C ILE A 61 0.832 -6.693 -4.911 1.00 32.20 C ATOM 807 O ILE A 61 0.890 -5.630 -4.293 1.00 61.00 O ATOM 808 CB ILE A 61 -1.112 -8.177 -4.419 1.00 55.40 C ATOM 809 CG1 ILE A 61 -0.281 -9.458 -4.323 1.00 25.30 C ATOM 810 CG2 ILE A 61 -2.552 -8.496 -4.790 1.00 3.40 C ATOM 811 CD1 ILE A 61 0.644 -9.489 -3.126 1.00 4.42 C ATOM 0 H ILE A 61 -0.606 -8.837 -6.771 1.00 42.10 H new ATOM 0 HA ILE A 61 -1.175 -6.374 -5.604 1.00 52.20 H new ATOM 0 HB ILE A 61 -1.108 -7.694 -3.442 1.00 55.40 H new ATOM 0 HG12 ILE A 61 -0.953 -10.315 -4.275 1.00 25.30 H new ATOM 0 HG13 ILE A 61 0.310 -9.567 -5.232 1.00 25.30 H new ATOM 0 HG21 ILE A 61 -2.975 -9.179 -4.053 1.00 3.40 H new ATOM 0 HG22 ILE A 61 -3.135 -7.575 -4.809 1.00 3.40 H new ATOM 0 HG23 ILE A 61 -2.579 -8.963 -5.775 1.00 3.40 H new ATOM 0 HD11 ILE A 61 1.202 -10.425 -3.121 1.00 4.42 H new ATOM 0 HD12 ILE A 61 1.340 -8.652 -3.182 1.00 4.42 H new ATOM 0 HD13 ILE A 61 0.057 -9.412 -2.211 1.00 4.42 H new ATOM 823 N ARG A 62 1.898 -7.450 -5.149 1.00 53.20 N ATOM 824 CA ARG A 62 3.226 -7.067 -4.688 1.00 33.40 C ATOM 825 C ARG A 62 3.744 -5.861 -5.464 1.00 53.00 C ATOM 826 O ARG A 62 4.293 -4.925 -4.882 1.00 3.34 O ATOM 827 CB ARG A 62 4.196 -8.240 -4.831 1.00 32.50 C ATOM 828 CG ARG A 62 4.107 -9.241 -3.691 1.00 15.00 C ATOM 829 CD ARG A 62 5.391 -10.040 -3.549 1.00 62.40 C ATOM 830 NE ARG A 62 5.378 -11.247 -4.374 1.00 52.20 N ATOM 831 CZ ARG A 62 5.768 -11.280 -5.647 1.00 25.10 C ATOM 832 NH1 ARG A 62 6.205 -10.184 -6.250 1.00 70.40 N ATOM 833 NH2 ARG A 62 5.723 -12.420 -6.320 1.00 24.40 N ATOM 0 H ARG A 62 1.867 -8.333 -5.659 1.00 53.20 H new ATOM 0 HA ARG A 62 3.154 -6.793 -3.635 1.00 33.40 H new ATOM 0 HB2 ARG A 62 3.997 -8.754 -5.772 1.00 32.50 H new ATOM 0 HB3 ARG A 62 5.214 -7.855 -4.887 1.00 32.50 H new ATOM 0 HG2 ARG A 62 3.900 -8.715 -2.759 1.00 15.00 H new ATOM 0 HG3 ARG A 62 3.272 -9.920 -3.866 1.00 15.00 H new ATOM 0 HD2 ARG A 62 6.239 -9.417 -3.832 1.00 62.40 H new ATOM 0 HD3 ARG A 62 5.533 -10.316 -2.504 1.00 62.40 H new ATOM 0 HE ARG A 62 5.051 -12.115 -3.950 1.00 52.20 H new ATOM 0 HH11 ARG A 62 6.245 -9.302 -5.739 1.00 70.40 H new ATOM 0 HH12 ARG A 62 6.501 -10.222 -7.225 1.00 70.40 H new ATOM 0 HH21 ARG A 62 5.390 -13.269 -5.863 1.00 24.40 H new ATOM 0 HH22 ARG A 62 6.021 -12.449 -7.295 1.00 24.40 H new ATOM 847 N ALA A 63 3.562 -5.888 -6.781 1.00 75.20 N ATOM 848 CA ALA A 63 4.008 -4.794 -7.633 1.00 64.20 C ATOM 849 C ALA A 63 3.336 -3.485 -7.234 1.00 44.10 C ATOM 850 O ALA A 63 3.951 -2.419 -7.279 1.00 22.30 O ATOM 851 CB ALA A 63 3.724 -5.112 -9.093 1.00 32.20 C ATOM 0 H ALA A 63 3.110 -6.654 -7.279 1.00 75.20 H new ATOM 0 HA ALA A 63 5.084 -4.677 -7.502 1.00 64.20 H new ATOM 0 HB1 ALA A 63 4.063 -4.286 -9.718 1.00 32.20 H new ATOM 0 HB2 ALA A 63 4.253 -6.022 -9.377 1.00 32.20 H new ATOM 0 HB3 ALA A 63 2.653 -5.257 -9.232 1.00 32.20 H new ATOM 857 N LYS A 64 2.070 -3.575 -6.838 1.00 73.10 N ATOM 858 CA LYS A 64 1.312 -2.400 -6.425 1.00 63.40 C ATOM 859 C LYS A 64 1.658 -2.009 -4.993 1.00 44.30 C ATOM 860 O LYS A 64 1.711 -0.825 -4.658 1.00 23.00 O ATOM 861 CB LYS A 64 -0.189 -2.669 -6.545 1.00 2.42 C ATOM 862 CG LYS A 64 -0.747 -2.402 -7.934 1.00 44.20 C ATOM 863 CD LYS A 64 -1.810 -3.418 -8.313 1.00 30.50 C ATOM 864 CE LYS A 64 -2.925 -2.782 -9.126 1.00 62.00 C ATOM 865 NZ LYS A 64 -4.096 -2.426 -8.277 1.00 52.00 N ATOM 0 H LYS A 64 1.548 -4.450 -6.795 1.00 73.10 H new ATOM 0 HA LYS A 64 1.579 -1.573 -7.083 1.00 63.40 H new ATOM 0 HB2 LYS A 64 -0.386 -3.707 -6.277 1.00 2.42 H new ATOM 0 HB3 LYS A 64 -0.720 -2.047 -5.824 1.00 2.42 H new ATOM 0 HG2 LYS A 64 -1.172 -1.399 -7.970 1.00 44.20 H new ATOM 0 HG3 LYS A 64 0.062 -2.431 -8.664 1.00 44.20 H new ATOM 0 HD2 LYS A 64 -1.355 -4.225 -8.887 1.00 30.50 H new ATOM 0 HD3 LYS A 64 -2.226 -3.865 -7.410 1.00 30.50 H new ATOM 0 HE2 LYS A 64 -2.549 -1.886 -9.620 1.00 62.00 H new ATOM 0 HE3 LYS A 64 -3.241 -3.470 -9.910 1.00 62.00 H new ATOM 0 HZ1 LYS A 64 -4.835 -1.995 -8.868 1.00 52.00 H new ATOM 0 HZ2 LYS A 64 -4.471 -3.284 -7.825 1.00 52.00 H new ATOM 0 HZ3 LYS A 64 -3.801 -1.750 -7.544 1.00 52.00 H new ATOM 879 N CYS A 65 1.896 -3.010 -4.152 1.00 11.00 N ATOM 880 CA CYS A 65 2.238 -2.769 -2.755 1.00 40.50 C ATOM 881 C CYS A 65 3.532 -1.969 -2.646 1.00 12.40 C ATOM 882 O CYS A 65 3.682 -1.132 -1.755 1.00 51.20 O ATOM 883 CB CYS A 65 2.381 -4.095 -2.006 1.00 64.20 C ATOM 884 SG CYS A 65 0.809 -4.820 -1.483 1.00 72.20 S ATOM 0 H CYS A 65 1.858 -3.995 -4.413 1.00 11.00 H new ATOM 0 HA CYS A 65 1.432 -2.191 -2.303 1.00 40.50 H new ATOM 0 HB2 CYS A 65 2.902 -4.807 -2.646 1.00 64.20 H new ATOM 0 HB3 CYS A 65 3.007 -3.938 -1.127 1.00 64.20 H new ATOM 0 HG CYS A 65 0.248 -5.415 -2.493 1.00 72.20 H new ATOM 890 N THR A 66 4.463 -2.231 -3.557 1.00 3.53 N ATOM 891 CA THR A 66 5.744 -1.534 -3.564 1.00 14.50 C ATOM 892 C THR A 66 5.589 -0.120 -4.115 1.00 53.10 C ATOM 893 O THR A 66 6.157 0.831 -3.578 1.00 25.10 O ATOM 894 CB THR A 66 6.766 -2.310 -4.397 1.00 32.20 C ATOM 895 OG1 THR A 66 6.410 -3.677 -4.481 1.00 4.14 O ATOM 896 CG2 THR A 66 8.172 -2.235 -3.840 1.00 3.52 C ATOM 0 H THR A 66 4.354 -2.921 -4.300 1.00 3.53 H new ATOM 0 HA THR A 66 6.100 -1.468 -2.536 1.00 14.50 H new ATOM 0 HB THR A 66 6.756 -1.839 -5.380 1.00 32.20 H new ATOM 0 HG1 THR A 66 5.658 -3.782 -5.101 1.00 4.14 H new ATOM 0 HG21 THR A 66 8.847 -2.806 -4.478 1.00 3.52 H new ATOM 0 HG22 THR A 66 8.496 -1.195 -3.809 1.00 3.52 H new ATOM 0 HG23 THR A 66 8.187 -2.650 -2.832 1.00 3.52 H new ATOM 904 N GLU A 67 4.819 0.010 -5.190 1.00 35.10 N ATOM 905 CA GLU A 67 4.589 1.309 -5.813 1.00 24.20 C ATOM 906 C GLU A 67 3.959 2.284 -4.823 1.00 42.20 C ATOM 907 O GLU A 67 4.338 3.453 -4.761 1.00 72.20 O ATOM 908 CB GLU A 67 3.689 1.158 -7.040 1.00 2.55 C ATOM 909 CG GLU A 67 3.499 2.449 -7.819 1.00 54.20 C ATOM 910 CD GLU A 67 4.662 2.748 -8.745 1.00 30.30 C ATOM 911 OE1 GLU A 67 5.796 2.332 -8.427 1.00 34.50 O ATOM 912 OE2 GLU A 67 4.439 3.399 -9.787 1.00 3.42 O ATOM 0 H GLU A 67 4.344 -0.768 -5.648 1.00 35.10 H new ATOM 0 HA GLU A 67 5.554 1.709 -6.126 1.00 24.20 H new ATOM 0 HB2 GLU A 67 4.115 0.404 -7.702 1.00 2.55 H new ATOM 0 HB3 GLU A 67 2.714 0.789 -6.722 1.00 2.55 H new ATOM 0 HG2 GLU A 67 2.581 2.385 -8.404 1.00 54.20 H new ATOM 0 HG3 GLU A 67 3.374 3.276 -7.120 1.00 54.20 H new ATOM 919 N TYR A 68 2.995 1.794 -4.050 1.00 73.10 N ATOM 920 CA TYR A 68 2.312 2.621 -3.063 1.00 1.23 C ATOM 921 C TYR A 68 3.212 2.885 -1.860 1.00 34.10 C ATOM 922 O TYR A 68 3.126 3.937 -1.226 1.00 30.50 O ATOM 923 CB TYR A 68 1.017 1.945 -2.608 1.00 44.10 C ATOM 924 CG TYR A 68 -0.011 1.802 -3.709 1.00 63.40 C ATOM 925 CD1 TYR A 68 -0.306 2.865 -4.551 1.00 42.10 C ATOM 926 CD2 TYR A 68 -0.684 0.603 -3.903 1.00 4.22 C ATOM 927 CE1 TYR A 68 -1.246 2.738 -5.557 1.00 3.22 C ATOM 928 CE2 TYR A 68 -1.625 0.468 -4.907 1.00 72.00 C ATOM 929 CZ TYR A 68 -1.901 1.538 -5.731 1.00 12.40 C ATOM 930 OH TYR A 68 -2.836 1.408 -6.732 1.00 33.30 O ATOM 0 H TYR A 68 2.670 0.828 -4.089 1.00 73.10 H new ATOM 0 HA TYR A 68 2.070 3.576 -3.530 1.00 1.23 H new ATOM 0 HB2 TYR A 68 1.252 0.957 -2.212 1.00 44.10 H new ATOM 0 HB3 TYR A 68 0.584 2.521 -1.791 1.00 44.10 H new ATOM 0 HD1 TYR A 68 0.207 3.806 -4.418 1.00 42.10 H new ATOM 0 HD2 TYR A 68 -0.469 -0.237 -3.260 1.00 4.22 H new ATOM 0 HE1 TYR A 68 -1.466 3.575 -6.203 1.00 3.22 H new ATOM 0 HE2 TYR A 68 -2.141 -0.471 -5.045 1.00 72.00 H new ATOM 0 HH TYR A 68 -3.204 0.500 -6.720 1.00 33.30 H new ATOM 940 N LEU A 69 4.074 1.923 -1.550 1.00 72.10 N ATOM 941 CA LEU A 69 4.990 2.050 -0.423 1.00 62.40 C ATOM 942 C LEU A 69 5.970 3.196 -0.647 1.00 45.30 C ATOM 943 O LEU A 69 6.165 4.040 0.229 1.00 41.50 O ATOM 944 CB LEU A 69 5.757 0.743 -0.211 1.00 74.20 C ATOM 945 CG LEU A 69 5.033 -0.301 0.640 1.00 5.41 C ATOM 946 CD1 LEU A 69 5.631 -1.682 0.415 1.00 43.30 C ATOM 947 CD2 LEU A 69 5.097 0.076 2.113 1.00 65.40 C ATOM 0 H LEU A 69 4.157 1.046 -2.064 1.00 72.10 H new ATOM 0 HA LEU A 69 4.401 2.266 0.469 1.00 62.40 H new ATOM 0 HB2 LEU A 69 5.977 0.306 -1.185 1.00 74.20 H new ATOM 0 HB3 LEU A 69 6.713 0.973 0.259 1.00 74.20 H new ATOM 0 HG LEU A 69 3.986 -0.327 0.336 1.00 5.41 H new ATOM 0 HD11 LEU A 69 5.103 -2.412 1.029 1.00 43.30 H new ATOM 0 HD12 LEU A 69 5.534 -1.954 -0.636 1.00 43.30 H new ATOM 0 HD13 LEU A 69 6.685 -1.671 0.691 1.00 43.30 H new ATOM 0 HD21 LEU A 69 4.577 -0.678 2.704 1.00 65.40 H new ATOM 0 HD22 LEU A 69 6.139 0.131 2.430 1.00 65.40 H new ATOM 0 HD23 LEU A 69 4.621 1.045 2.261 1.00 65.40 H new ATOM 959 N ASP A 70 6.586 3.222 -1.825 1.00 15.10 N ATOM 960 CA ASP A 70 7.547 4.265 -2.164 1.00 31.20 C ATOM 961 C ASP A 70 6.891 5.641 -2.125 1.00 71.40 C ATOM 962 O ASP A 70 7.434 6.584 -1.548 1.00 11.40 O ATOM 963 CB ASP A 70 8.141 4.009 -3.550 1.00 24.00 C ATOM 964 CG ASP A 70 9.340 3.083 -3.503 1.00 45.10 C ATOM 965 OD1 ASP A 70 9.206 1.964 -2.965 1.00 73.10 O ATOM 966 OD2 ASP A 70 10.415 3.478 -4.003 1.00 42.50 O ATOM 0 H ASP A 70 6.436 2.532 -2.561 1.00 15.10 H new ATOM 0 HA ASP A 70 8.347 4.242 -1.424 1.00 31.20 H new ATOM 0 HB2 ASP A 70 7.377 3.577 -4.196 1.00 24.00 H new ATOM 0 HB3 ASP A 70 8.436 4.958 -3.997 1.00 24.00 H new ATOM 971 N ARG A 71 5.719 5.750 -2.743 1.00 64.10 N ATOM 972 CA ARG A 71 4.988 7.011 -2.778 1.00 61.50 C ATOM 973 C ARG A 71 4.545 7.424 -1.378 1.00 34.40 C ATOM 974 O ARG A 71 4.492 8.611 -1.058 1.00 5.23 O ATOM 975 CB ARG A 71 3.771 6.894 -3.698 1.00 51.10 C ATOM 976 CG ARG A 71 3.508 8.145 -4.522 1.00 3.34 C ATOM 977 CD ARG A 71 2.456 9.028 -3.872 1.00 34.00 C ATOM 978 NE ARG A 71 2.049 10.127 -4.745 1.00 1.53 N ATOM 979 CZ ARG A 71 2.816 11.182 -5.015 1.00 22.30 C ATOM 980 NH1 ARG A 71 4.028 11.284 -4.483 1.00 10.00 N ATOM 981 NH2 ARG A 71 2.370 12.136 -5.820 1.00 2.15 N ATOM 0 H ARG A 71 5.256 4.980 -3.226 1.00 64.10 H new ATOM 0 HA ARG A 71 5.657 7.778 -3.168 1.00 61.50 H new ATOM 0 HB2 ARG A 71 3.915 6.049 -4.371 1.00 51.10 H new ATOM 0 HB3 ARG A 71 2.890 6.674 -3.095 1.00 51.10 H new ATOM 0 HG2 ARG A 71 4.435 8.707 -4.639 1.00 3.34 H new ATOM 0 HG3 ARG A 71 3.179 7.861 -5.522 1.00 3.34 H new ATOM 0 HD2 ARG A 71 1.584 8.426 -3.617 1.00 34.00 H new ATOM 0 HD3 ARG A 71 2.848 9.432 -2.939 1.00 34.00 H new ATOM 0 HE ARG A 71 1.124 10.084 -5.172 1.00 1.53 H new ATOM 0 HH11 ARG A 71 4.376 10.552 -3.864 1.00 10.00 H new ATOM 0 HH12 ARG A 71 4.611 12.094 -4.693 1.00 10.00 H new ATOM 0 HH21 ARG A 71 1.440 12.062 -6.232 1.00 2.15 H new ATOM 0 HH22 ARG A 71 2.957 12.944 -6.027 1.00 2.15 H new ATOM 995 N ALA A 72 4.229 6.435 -0.548 1.00 12.10 N ATOM 996 CA ALA A 72 3.791 6.695 0.817 1.00 14.20 C ATOM 997 C ALA A 72 4.862 7.443 1.605 1.00 53.10 C ATOM 998 O ALA A 72 4.564 8.388 2.335 1.00 1.41 O ATOM 999 CB ALA A 72 3.436 5.390 1.514 1.00 13.40 C ATOM 0 H ALA A 72 4.268 5.447 -0.798 1.00 12.10 H new ATOM 0 HA ALA A 72 2.903 7.325 0.773 1.00 14.20 H new ATOM 0 HB1 ALA A 72 3.110 5.599 2.533 1.00 13.40 H new ATOM 0 HB2 ALA A 72 2.632 4.894 0.970 1.00 13.40 H new ATOM 0 HB3 ALA A 72 4.311 4.741 1.539 1.00 13.40 H new ATOM 1005 N GLU A 73 6.110 7.013 1.450 1.00 71.40 N ATOM 1006 CA GLU A 73 7.226 7.643 2.147 1.00 34.20 C ATOM 1007 C GLU A 73 7.521 9.022 1.567 1.00 20.20 C ATOM 1008 O GLU A 73 7.954 9.927 2.280 1.00 25.20 O ATOM 1009 CB GLU A 73 8.473 6.761 2.055 1.00 30.40 C ATOM 1010 CG GLU A 73 8.444 5.566 2.993 1.00 54.20 C ATOM 1011 CD GLU A 73 8.992 4.308 2.351 1.00 22.10 C ATOM 1012 OE1 GLU A 73 8.243 3.650 1.598 1.00 54.10 O ATOM 1013 OE2 GLU A 73 10.171 3.979 2.601 1.00 4.42 O ATOM 0 H GLU A 73 6.374 6.232 0.849 1.00 71.40 H new ATOM 0 HA GLU A 73 6.948 7.761 3.194 1.00 34.20 H new ATOM 0 HB2 GLU A 73 8.581 6.405 1.030 1.00 30.40 H new ATOM 0 HB3 GLU A 73 9.352 7.365 2.277 1.00 30.40 H new ATOM 0 HG2 GLU A 73 9.024 5.796 3.886 1.00 54.20 H new ATOM 0 HG3 GLU A 73 7.418 5.387 3.316 1.00 54.20 H new ATOM 1020 N LYS A 74 7.283 9.176 0.268 1.00 61.00 N ATOM 1021 CA LYS A 74 7.522 10.446 -0.407 1.00 33.30 C ATOM 1022 C LYS A 74 6.679 11.559 0.208 1.00 4.52 C ATOM 1023 O LYS A 74 7.200 12.606 0.592 1.00 72.20 O ATOM 1024 CB LYS A 74 7.211 10.320 -1.900 1.00 42.00 C ATOM 1025 CG LYS A 74 8.335 9.690 -2.706 1.00 32.10 C ATOM 1026 CD LYS A 74 8.415 10.279 -4.104 1.00 13.10 C ATOM 1027 CE LYS A 74 9.502 9.608 -4.929 1.00 62.50 C ATOM 1028 NZ LYS A 74 9.564 10.153 -6.312 1.00 15.10 N ATOM 0 H LYS A 74 6.925 8.437 -0.337 1.00 61.00 H new ATOM 0 HA LYS A 74 8.574 10.702 -0.282 1.00 33.30 H new ATOM 0 HB2 LYS A 74 6.307 9.723 -2.025 1.00 42.00 H new ATOM 0 HB3 LYS A 74 6.998 11.310 -2.303 1.00 42.00 H new ATOM 0 HG2 LYS A 74 9.283 9.843 -2.191 1.00 32.10 H new ATOM 0 HG3 LYS A 74 8.178 8.613 -2.772 1.00 32.10 H new ATOM 0 HD2 LYS A 74 7.453 10.164 -4.604 1.00 13.10 H new ATOM 0 HD3 LYS A 74 8.614 11.349 -4.039 1.00 13.10 H new ATOM 0 HE2 LYS A 74 10.466 9.747 -4.440 1.00 62.50 H new ATOM 0 HE3 LYS A 74 9.317 8.535 -4.970 1.00 62.50 H new ATOM 0 HZ1 LYS A 74 10.317 9.670 -6.842 1.00 15.10 H new ATOM 0 HZ2 LYS A 74 8.652 9.998 -6.787 1.00 15.10 H new ATOM 0 HZ3 LYS A 74 9.766 11.172 -6.275 1.00 15.10 H new ATOM 1042 N LEU A 75 5.374 11.323 0.299 1.00 2.20 N ATOM 1043 CA LEU A 75 4.458 12.306 0.868 1.00 53.00 C ATOM 1044 C LEU A 75 4.825 12.616 2.316 1.00 74.40 C ATOM 1045 O LEU A 75 4.797 13.771 2.741 1.00 33.20 O ATOM 1046 CB LEU A 75 3.019 11.795 0.792 1.00 13.40 C ATOM 1047 CG LEU A 75 2.585 11.285 -0.583 1.00 73.30 C ATOM 1048 CD1 LEU A 75 1.125 10.862 -0.558 1.00 14.40 C ATOM 1049 CD2 LEU A 75 2.815 12.351 -1.643 1.00 14.30 C ATOM 0 H LEU A 75 4.927 10.461 -0.013 1.00 2.20 H new ATOM 0 HA LEU A 75 4.541 13.224 0.287 1.00 53.00 H new ATOM 0 HB2 LEU A 75 2.897 10.990 1.516 1.00 13.40 H new ATOM 0 HB3 LEU A 75 2.348 12.599 1.093 1.00 13.40 H new ATOM 0 HG LEU A 75 3.190 10.414 -0.835 1.00 73.30 H new ATOM 0 HD11 LEU A 75 0.834 10.502 -1.545 1.00 14.40 H new ATOM 0 HD12 LEU A 75 0.989 10.065 0.174 1.00 14.40 H new ATOM 0 HD13 LEU A 75 0.504 11.715 -0.285 1.00 14.40 H new ATOM 0 HD21 LEU A 75 2.501 11.971 -2.615 1.00 14.30 H new ATOM 0 HD22 LEU A 75 2.235 13.240 -1.396 1.00 14.30 H new ATOM 0 HD23 LEU A 75 3.874 12.606 -1.678 1.00 14.30 H new ATOM 1061 N LYS A 76 5.169 11.576 3.069 1.00 22.50 N ATOM 1062 CA LYS A 76 5.542 11.737 4.469 1.00 72.20 C ATOM 1063 C LYS A 76 6.757 12.648 4.607 1.00 42.20 C ATOM 1064 O LYS A 76 6.868 13.413 5.565 1.00 21.40 O ATOM 1065 CB LYS A 76 5.836 10.376 5.101 1.00 24.20 C ATOM 1066 CG LYS A 76 5.390 10.268 6.551 1.00 41.30 C ATOM 1067 CD LYS A 76 6.188 9.215 7.302 1.00 54.30 C ATOM 1068 CE LYS A 76 7.309 9.841 8.115 1.00 63.40 C ATOM 1069 NZ LYS A 76 6.803 10.476 9.363 1.00 41.40 N ATOM 0 H LYS A 76 5.197 10.613 2.733 1.00 22.50 H new ATOM 0 HA LYS A 76 4.704 12.198 4.991 1.00 72.20 H new ATOM 0 HB2 LYS A 76 5.340 9.600 4.518 1.00 24.20 H new ATOM 0 HB3 LYS A 76 6.907 10.182 5.044 1.00 24.20 H new ATOM 0 HG2 LYS A 76 5.508 11.234 7.042 1.00 41.30 H new ATOM 0 HG3 LYS A 76 4.330 10.018 6.589 1.00 41.30 H new ATOM 0 HD2 LYS A 76 5.525 8.658 7.963 1.00 54.30 H new ATOM 0 HD3 LYS A 76 6.606 8.500 6.594 1.00 54.30 H new ATOM 0 HE2 LYS A 76 8.044 9.077 8.369 1.00 63.40 H new ATOM 0 HE3 LYS A 76 7.822 10.588 7.510 1.00 63.40 H new ATOM 0 HZ1 LYS A 76 7.529 11.114 9.747 1.00 41.40 H new ATOM 0 HZ2 LYS A 76 5.942 11.019 9.152 1.00 41.40 H new ATOM 0 HZ3 LYS A 76 6.584 9.739 10.063 1.00 41.40 H new ATOM 1083 N GLU A 77 7.666 12.562 3.642 1.00 12.10 N ATOM 1084 CA GLU A 77 8.874 13.380 3.653 1.00 21.30 C ATOM 1085 C GLU A 77 8.552 14.818 3.263 1.00 41.30 C ATOM 1086 O GLU A 77 8.873 15.758 3.991 1.00 40.30 O ATOM 1087 CB GLU A 77 9.919 12.801 2.698 1.00 43.00 C ATOM 1088 CG GLU A 77 11.347 12.951 3.195 1.00 12.10 C ATOM 1089 CD GLU A 77 11.846 11.716 3.919 1.00 13.40 C ATOM 1090 OE1 GLU A 77 11.163 11.266 4.865 1.00 12.10 O ATOM 1091 OE2 GLU A 77 12.918 11.199 3.542 1.00 61.30 O ATOM 0 H GLU A 77 7.590 11.934 2.842 1.00 12.10 H new ATOM 0 HA GLU A 77 9.280 13.375 4.665 1.00 21.30 H new ATOM 0 HB2 GLU A 77 9.708 11.744 2.539 1.00 43.00 H new ATOM 0 HB3 GLU A 77 9.827 13.293 1.730 1.00 43.00 H new ATOM 0 HG2 GLU A 77 12.002 13.161 2.349 1.00 12.10 H new ATOM 0 HG3 GLU A 77 11.406 13.809 3.865 1.00 12.10 H new ATOM 1098 N TYR A 78 7.915 14.979 2.110 1.00 13.20 N ATOM 1099 CA TYR A 78 7.543 16.300 1.616 1.00 53.30 C ATOM 1100 C TYR A 78 6.607 16.997 2.602 1.00 73.10 C ATOM 1101 O TYR A 78 6.623 18.221 2.730 1.00 53.10 O ATOM 1102 CB TYR A 78 6.885 16.175 0.233 1.00 43.40 C ATOM 1103 CG TYR A 78 5.816 17.210 -0.048 1.00 74.20 C ATOM 1104 CD1 TYR A 78 4.528 17.054 0.445 1.00 0.01 C ATOM 1105 CD2 TYR A 78 6.097 18.339 -0.807 1.00 71.10 C ATOM 1106 CE1 TYR A 78 3.548 17.994 0.191 1.00 3.31 C ATOM 1107 CE2 TYR A 78 5.122 19.285 -1.065 1.00 70.40 C ATOM 1108 CZ TYR A 78 3.849 19.107 -0.564 1.00 61.10 C ATOM 1109 OH TYR A 78 2.877 20.047 -0.819 1.00 42.30 O ATOM 0 H TYR A 78 7.644 14.209 1.498 1.00 13.20 H new ATOM 0 HA TYR A 78 8.443 16.908 1.520 1.00 53.30 H new ATOM 0 HB2 TYR A 78 7.658 16.252 -0.532 1.00 43.40 H new ATOM 0 HB3 TYR A 78 6.445 15.182 0.142 1.00 43.40 H new ATOM 0 HD1 TYR A 78 4.288 16.183 1.037 1.00 0.01 H new ATOM 0 HD2 TYR A 78 7.092 18.480 -1.202 1.00 71.10 H new ATOM 0 HE1 TYR A 78 2.551 17.857 0.582 1.00 3.31 H new ATOM 0 HE2 TYR A 78 5.356 20.158 -1.656 1.00 70.40 H new ATOM 0 HH TYR A 78 3.255 20.769 -1.364 1.00 42.30 H new ATOM 1119 N LEU A 79 5.793 16.208 3.296 1.00 3.32 N ATOM 1120 CA LEU A 79 4.852 16.748 4.270 1.00 12.10 C ATOM 1121 C LEU A 79 5.586 17.329 5.474 1.00 50.10 C ATOM 1122 O LEU A 79 5.211 18.380 5.995 1.00 5.42 O ATOM 1123 CB LEU A 79 3.878 15.660 4.729 1.00 60.00 C ATOM 1124 CG LEU A 79 2.635 15.493 3.855 1.00 0.41 C ATOM 1125 CD1 LEU A 79 2.126 14.061 3.920 1.00 45.20 C ATOM 1126 CD2 LEU A 79 1.548 16.467 4.284 1.00 1.01 C ATOM 0 H LEU A 79 5.766 15.193 3.202 1.00 3.32 H new ATOM 0 HA LEU A 79 4.291 17.549 3.788 1.00 12.10 H new ATOM 0 HB2 LEU A 79 4.410 14.709 4.763 1.00 60.00 H new ATOM 0 HB3 LEU A 79 3.560 15.885 5.747 1.00 60.00 H new ATOM 0 HG LEU A 79 2.907 15.714 2.823 1.00 0.41 H new ATOM 0 HD11 LEU A 79 1.241 13.961 3.292 1.00 45.20 H new ATOM 0 HD12 LEU A 79 2.902 13.383 3.565 1.00 45.20 H new ATOM 0 HD13 LEU A 79 1.870 13.812 4.950 1.00 45.20 H new ATOM 0 HD21 LEU A 79 0.670 16.334 3.651 1.00 1.01 H new ATOM 0 HD22 LEU A 79 1.278 16.277 5.323 1.00 1.01 H new ATOM 0 HD23 LEU A 79 1.915 17.489 4.186 1.00 1.01 H new ATOM 1138 N LYS A 80 6.636 16.640 5.909 1.00 10.00 N ATOM 1139 CA LYS A 80 7.424 17.088 7.052 1.00 4.21 C ATOM 1140 C LYS A 80 8.485 18.095 6.619 1.00 40.20 C ATOM 1141 O LYS A 80 8.848 18.994 7.378 1.00 74.40 O ATOM 1142 CB LYS A 80 8.088 15.894 7.740 1.00 2.32 C ATOM 1143 CG LYS A 80 7.109 14.998 8.481 1.00 44.50 C ATOM 1144 CD LYS A 80 7.047 15.344 9.960 1.00 21.00 C ATOM 1145 CE LYS A 80 5.853 16.232 10.274 1.00 43.50 C ATOM 1146 NZ LYS A 80 4.701 15.449 10.798 1.00 41.10 N ATOM 0 H LYS A 80 6.961 15.770 5.488 1.00 10.00 H new ATOM 0 HA LYS A 80 6.751 17.576 7.757 1.00 4.21 H new ATOM 0 HB2 LYS A 80 8.616 15.302 6.992 1.00 2.32 H new ATOM 0 HB3 LYS A 80 8.836 16.260 8.443 1.00 2.32 H new ATOM 0 HG2 LYS A 80 6.117 15.099 8.041 1.00 44.50 H new ATOM 0 HG3 LYS A 80 7.406 13.956 8.362 1.00 44.50 H new ATOM 0 HD2 LYS A 80 6.985 14.428 10.547 1.00 21.00 H new ATOM 0 HD3 LYS A 80 7.966 15.850 10.255 1.00 21.00 H new ATOM 0 HE2 LYS A 80 6.143 16.985 11.007 1.00 43.50 H new ATOM 0 HE3 LYS A 80 5.550 16.765 9.373 1.00 43.50 H new ATOM 0 HZ1 LYS A 80 3.908 16.091 11.000 1.00 41.10 H new ATOM 0 HZ2 LYS A 80 4.407 14.747 10.089 1.00 41.10 H new ATOM 0 HZ3 LYS A 80 4.982 14.961 11.672 1.00 41.10 H new ATOM 1160 N ASN A 81 8.978 17.938 5.395 1.00 43.10 N ATOM 1161 CA ASN A 81 9.999 18.834 4.861 1.00 55.10 C ATOM 1162 C ASN A 81 9.491 20.272 4.816 1.00 44.10 C ATOM 1163 O ASN A 81 8.354 20.552 5.200 1.00 13.30 O ATOM 1164 CB ASN A 81 10.418 18.385 3.461 1.00 24.40 C ATOM 1165 CG ASN A 81 11.360 17.197 3.493 1.00 74.10 C ATOM 1166 OD1 ASN A 81 11.082 16.153 2.904 1.00 23.20 O ATOM 1167 ND2 ASN A 81 12.484 17.352 4.184 1.00 33.50 N ATOM 0 H ASN A 81 8.688 17.200 4.754 1.00 43.10 H new ATOM 0 HA ASN A 81 10.865 18.794 5.522 1.00 55.10 H new ATOM 0 HB2 ASN A 81 9.530 18.126 2.885 1.00 24.40 H new ATOM 0 HB3 ASN A 81 10.901 19.215 2.946 1.00 24.40 H new ATOM 0 HD21 ASN A 81 13.157 16.588 4.241 1.00 33.50 H new ATOM 0 HD22 ASN A 81 12.674 18.235 4.657 1.00 33.50 H new TER 1174 ASN A 81 ATOM 1175 N ASP B 116 8.175 -10.632 -1.705 1.00 34.20 N ATOM 1176 CA ASP B 116 7.244 -10.648 -0.583 1.00 61.10 C ATOM 1177 C ASP B 116 7.937 -10.227 0.709 1.00 70.30 C ATOM 1178 O ASP B 116 7.308 -9.673 1.611 1.00 35.10 O ATOM 1179 CB ASP B 116 6.636 -12.046 -0.420 1.00 51.40 C ATOM 1180 CG ASP B 116 6.135 -12.611 -1.734 1.00 10.30 C ATOM 1181 OD1 ASP B 116 6.943 -13.224 -2.461 1.00 34.20 O ATOM 1182 OD2 ASP B 116 4.936 -12.446 -2.035 1.00 14.10 O ATOM 0 HA ASP B 116 6.448 -9.934 -0.793 1.00 61.10 H new ATOM 0 HB2 ASP B 116 7.384 -12.718 0.001 1.00 51.40 H new ATOM 0 HB3 ASP B 116 5.812 -12.001 0.292 1.00 51.40 H new ATOM 1187 N GLU B 117 9.239 -10.500 0.794 1.00 25.40 N ATOM 1188 CA GLU B 117 10.015 -10.148 1.976 1.00 43.40 C ATOM 1189 C GLU B 117 10.194 -8.637 2.086 1.00 33.30 C ATOM 1190 O GLU B 117 9.944 -8.049 3.138 1.00 14.10 O ATOM 1191 CB GLU B 117 11.383 -10.835 1.932 1.00 62.50 C ATOM 1192 CG GLU B 117 12.023 -11.012 3.302 1.00 4.51 C ATOM 1193 CD GLU B 117 12.702 -12.353 3.461 1.00 73.50 C ATOM 1194 OE1 GLU B 117 12.030 -13.312 3.898 1.00 0.31 O ATOM 1195 OE2 GLU B 117 13.907 -12.449 3.148 1.00 35.10 O ATOM 0 H GLU B 117 9.774 -10.962 0.059 1.00 25.40 H new ATOM 0 HA GLU B 117 9.468 -10.491 2.854 1.00 43.40 H new ATOM 0 HB2 GLU B 117 11.274 -11.813 1.463 1.00 62.50 H new ATOM 0 HB3 GLU B 117 12.053 -10.251 1.300 1.00 62.50 H new ATOM 0 HG2 GLU B 117 12.753 -10.219 3.462 1.00 4.51 H new ATOM 0 HG3 GLU B 117 11.259 -10.903 4.072 1.00 4.51 H new ATOM 1202 N GLU B 118 10.629 -8.015 0.996 1.00 72.00 N ATOM 1203 CA GLU B 118 10.843 -6.576 0.972 1.00 31.20 C ATOM 1204 C GLU B 118 9.534 -5.826 1.219 1.00 12.50 C ATOM 1205 O GLU B 118 9.466 -4.952 2.079 1.00 21.10 O ATOM 1206 CB GLU B 118 11.447 -6.152 -0.368 1.00 13.50 C ATOM 1207 CG GLU B 118 12.935 -5.856 -0.300 1.00 54.40 C ATOM 1208 CD GLU B 118 13.239 -4.375 -0.274 1.00 44.30 C ATOM 1209 OE1 GLU B 118 12.448 -3.619 0.330 1.00 41.40 O ATOM 1210 OE2 GLU B 118 14.265 -3.967 -0.858 1.00 11.40 O ATOM 0 H GLU B 118 10.840 -8.487 0.117 1.00 72.00 H new ATOM 0 HA GLU B 118 11.540 -6.323 1.771 1.00 31.20 H new ATOM 0 HB2 GLU B 118 11.276 -6.941 -1.100 1.00 13.50 H new ATOM 0 HB3 GLU B 118 10.925 -5.265 -0.727 1.00 13.50 H new ATOM 0 HG2 GLU B 118 13.353 -6.323 0.592 1.00 54.40 H new ATOM 0 HG3 GLU B 118 13.430 -6.309 -1.159 1.00 54.40 H new ATOM 1217 N ILE B 119 8.504 -6.187 0.462 1.00 61.50 N ATOM 1218 CA ILE B 119 7.201 -5.550 0.600 1.00 61.10 C ATOM 1219 C ILE B 119 6.633 -5.761 2.001 1.00 23.10 C ATOM 1220 O ILE B 119 5.948 -4.892 2.540 1.00 72.40 O ATOM 1221 CB ILE B 119 6.199 -6.093 -0.440 1.00 0.33 C ATOM 1222 CG1 ILE B 119 6.767 -5.938 -1.852 1.00 30.30 C ATOM 1223 CG2 ILE B 119 4.861 -5.376 -0.320 1.00 13.10 C ATOM 1224 CD1 ILE B 119 5.825 -6.411 -2.939 1.00 24.10 C ATOM 0 H ILE B 119 8.546 -6.915 -0.251 1.00 61.50 H new ATOM 0 HA ILE B 119 7.347 -4.484 0.429 1.00 61.10 H new ATOM 0 HB ILE B 119 6.036 -7.153 -0.245 1.00 0.33 H new ATOM 0 HG12 ILE B 119 7.010 -4.889 -2.024 1.00 30.30 H new ATOM 0 HG13 ILE B 119 7.700 -6.497 -1.923 1.00 30.30 H new ATOM 0 HG21 ILE B 119 4.168 -5.773 -1.062 1.00 13.10 H new ATOM 0 HG22 ILE B 119 4.453 -5.532 0.679 1.00 13.10 H new ATOM 0 HG23 ILE B 119 5.003 -4.309 -0.491 1.00 13.10 H new ATOM 0 HD11 ILE B 119 6.294 -6.271 -3.913 1.00 24.10 H new ATOM 0 HD12 ILE B 119 5.602 -7.468 -2.792 1.00 24.10 H new ATOM 0 HD13 ILE B 119 4.901 -5.835 -2.895 1.00 24.10 H new ATOM 1236 N GLU B 120 6.926 -6.916 2.586 1.00 12.40 N ATOM 1237 CA GLU B 120 6.444 -7.232 3.924 1.00 12.00 C ATOM 1238 C GLU B 120 7.160 -6.391 4.974 1.00 31.30 C ATOM 1239 O GLU B 120 6.528 -5.796 5.843 1.00 51.10 O ATOM 1240 CB GLU B 120 6.649 -8.725 4.220 1.00 3.43 C ATOM 1241 CG GLU B 120 6.148 -9.141 5.591 1.00 14.40 C ATOM 1242 CD GLU B 120 6.106 -10.649 5.758 1.00 73.10 C ATOM 1243 OE1 GLU B 120 6.068 -11.357 4.731 1.00 62.20 O ATOM 1244 OE2 GLU B 120 6.111 -11.120 6.916 1.00 4.24 O ATOM 0 H GLU B 120 7.493 -7.647 2.156 1.00 12.40 H new ATOM 0 HA GLU B 120 5.380 -7.000 3.966 1.00 12.00 H new ATOM 0 HB2 GLU B 120 6.135 -9.313 3.460 1.00 3.43 H new ATOM 0 HB3 GLU B 120 7.710 -8.961 4.142 1.00 3.43 H new ATOM 0 HG2 GLU B 120 6.794 -8.711 6.357 1.00 14.40 H new ATOM 0 HG3 GLU B 120 5.150 -8.733 5.750 1.00 14.40 H new ATOM 1251 N ARG B 121 8.488 -6.356 4.892 1.00 40.40 N ATOM 1252 CA ARG B 121 9.289 -5.582 5.833 1.00 55.20 C ATOM 1253 C ARG B 121 9.032 -4.094 5.679 1.00 24.10 C ATOM 1254 O ARG B 121 9.062 -3.343 6.655 1.00 72.20 O ATOM 1255 CB ARG B 121 10.776 -5.877 5.629 1.00 35.40 C ATOM 1256 CG ARG B 121 11.578 -5.900 6.921 1.00 54.50 C ATOM 1257 CD ARG B 121 13.069 -5.806 6.652 1.00 33.20 C ATOM 1258 NE ARG B 121 13.843 -6.634 7.574 1.00 44.50 N ATOM 1259 CZ ARG B 121 13.892 -7.966 7.514 1.00 40.00 C ATOM 1260 NH1 ARG B 121 13.213 -8.619 6.579 1.00 63.20 N ATOM 1261 NH2 ARG B 121 14.621 -8.645 8.392 1.00 10.00 N ATOM 0 H ARG B 121 9.030 -6.854 4.185 1.00 40.40 H new ATOM 0 HA ARG B 121 8.999 -5.876 6.842 1.00 55.20 H new ATOM 0 HB2 ARG B 121 10.881 -6.840 5.129 1.00 35.40 H new ATOM 0 HB3 ARG B 121 11.198 -5.125 4.963 1.00 35.40 H new ATOM 0 HG2 ARG B 121 11.269 -5.071 7.557 1.00 54.50 H new ATOM 0 HG3 ARG B 121 11.363 -6.818 7.468 1.00 54.50 H new ATOM 0 HD2 ARG B 121 13.273 -6.116 5.627 1.00 33.20 H new ATOM 0 HD3 ARG B 121 13.389 -4.768 6.741 1.00 33.20 H new ATOM 0 HE ARG B 121 14.377 -6.166 8.306 1.00 44.50 H new ATOM 0 HH11 ARG B 121 12.651 -8.102 5.903 1.00 63.20 H new ATOM 0 HH12 ARG B 121 13.253 -9.637 6.537 1.00 63.20 H new ATOM 0 HH21 ARG B 121 15.144 -8.148 9.113 1.00 10.00 H new ATOM 0 HH22 ARG B 121 14.658 -9.663 8.345 1.00 10.00 H new ATOM 1275 N GLN B 122 8.778 -3.668 4.447 1.00 2.42 N ATOM 1276 CA GLN B 122 8.513 -2.262 4.163 1.00 3.34 C ATOM 1277 C GLN B 122 7.286 -1.776 4.925 1.00 31.20 C ATOM 1278 O GLN B 122 7.300 -0.699 5.524 1.00 65.10 O ATOM 1279 CB GLN B 122 8.310 -2.053 2.661 1.00 20.10 C ATOM 1280 CG GLN B 122 9.607 -1.836 1.897 1.00 44.10 C ATOM 1281 CD GLN B 122 9.392 -1.126 0.575 1.00 24.10 C ATOM 1282 OE1 GLN B 122 9.330 0.102 0.519 1.00 31.30 O ATOM 1283 NE2 GLN B 122 9.276 -1.898 -0.500 1.00 54.40 N ATOM 0 H GLN B 122 8.750 -4.276 3.628 1.00 2.42 H new ATOM 0 HA GLN B 122 9.376 -1.682 4.490 1.00 3.34 H new ATOM 0 HB2 GLN B 122 7.795 -2.921 2.248 1.00 20.10 H new ATOM 0 HB3 GLN B 122 7.659 -1.193 2.507 1.00 20.10 H new ATOM 0 HG2 GLN B 122 10.293 -1.253 2.511 1.00 44.10 H new ATOM 0 HG3 GLN B 122 10.083 -2.800 1.715 1.00 44.10 H new ATOM 0 HE21 GLN B 122 9.334 -2.912 -0.408 1.00 54.40 H new ATOM 0 HE22 GLN B 122 9.129 -1.476 -1.417 1.00 54.40 H new ATOM 1292 N LEU B 123 6.224 -2.575 4.901 1.00 53.30 N ATOM 1293 CA LEU B 123 4.988 -2.225 5.591 1.00 61.40 C ATOM 1294 C LEU B 123 5.227 -2.076 7.090 1.00 54.00 C ATOM 1295 O LEU B 123 4.777 -1.109 7.707 1.00 64.20 O ATOM 1296 CB LEU B 123 3.918 -3.290 5.335 1.00 63.40 C ATOM 1297 CG LEU B 123 3.021 -3.028 4.125 1.00 33.10 C ATOM 1298 CD1 LEU B 123 2.376 -1.654 4.225 1.00 62.20 C ATOM 1299 CD2 LEU B 123 3.819 -3.152 2.835 1.00 64.40 C ATOM 0 H LEU B 123 6.195 -3.469 4.411 1.00 53.30 H new ATOM 0 HA LEU B 123 4.639 -1.269 5.200 1.00 61.40 H new ATOM 0 HB2 LEU B 123 4.410 -4.253 5.201 1.00 63.40 H new ATOM 0 HB3 LEU B 123 3.290 -3.373 6.222 1.00 63.40 H new ATOM 0 HG LEU B 123 2.229 -3.777 4.114 1.00 33.10 H new ATOM 0 HD11 LEU B 123 1.741 -1.486 3.355 1.00 62.20 H new ATOM 0 HD12 LEU B 123 1.772 -1.601 5.131 1.00 62.20 H new ATOM 0 HD13 LEU B 123 3.152 -0.890 4.261 1.00 62.20 H new ATOM 0 HD21 LEU B 123 3.166 -2.963 1.983 1.00 64.40 H new ATOM 0 HD22 LEU B 123 4.631 -2.425 2.838 1.00 64.40 H new ATOM 0 HD23 LEU B 123 4.233 -4.158 2.758 1.00 64.40 H new ATOM 1311 N LYS B 124 5.936 -3.038 7.670 1.00 41.10 N ATOM 1312 CA LYS B 124 6.234 -3.012 9.097 1.00 3.00 C ATOM 1313 C LYS B 124 7.031 -1.764 9.465 1.00 3.14 C ATOM 1314 O LYS B 124 6.913 -1.245 10.575 1.00 31.00 O ATOM 1315 CB LYS B 124 7.013 -4.266 9.499 1.00 54.50 C ATOM 1316 CG LYS B 124 7.223 -4.397 10.999 1.00 62.50 C ATOM 1317 CD LYS B 124 8.562 -5.029 11.318 1.00 12.00 C ATOM 1318 CE LYS B 124 8.999 -4.722 12.741 1.00 11.10 C ATOM 1319 NZ LYS B 124 10.334 -5.317 13.054 1.00 75.10 N ATOM 0 H LYS B 124 6.315 -3.845 7.174 1.00 41.10 H new ATOM 0 HA LYS B 124 5.289 -2.990 9.640 1.00 3.00 H new ATOM 0 HB2 LYS B 124 6.481 -5.146 9.137 1.00 54.50 H new ATOM 0 HB3 LYS B 124 7.984 -4.255 9.004 1.00 54.50 H new ATOM 0 HG2 LYS B 124 7.164 -3.413 11.463 1.00 62.50 H new ATOM 0 HG3 LYS B 124 6.423 -5.000 11.428 1.00 62.50 H new ATOM 0 HD2 LYS B 124 8.498 -6.108 11.181 1.00 12.00 H new ATOM 0 HD3 LYS B 124 9.314 -4.663 10.619 1.00 12.00 H new ATOM 0 HE2 LYS B 124 9.040 -3.642 12.883 1.00 11.10 H new ATOM 0 HE3 LYS B 124 8.257 -5.107 13.440 1.00 11.10 H new ATOM 0 HZ1 LYS B 124 10.596 -5.085 14.033 1.00 75.10 H new ATOM 0 HZ2 LYS B 124 10.288 -6.350 12.943 1.00 75.10 H new ATOM 0 HZ3 LYS B 124 11.048 -4.930 12.404 1.00 75.10 H new ATOM 1333 N ALA B 125 7.843 -1.290 8.526 1.00 42.20 N ATOM 1334 CA ALA B 125 8.659 -0.103 8.751 1.00 72.20 C ATOM 1335 C ALA B 125 7.794 1.148 8.851 1.00 54.20 C ATOM 1336 O ALA B 125 8.040 2.020 9.685 1.00 51.10 O ATOM 1337 CB ALA B 125 9.686 0.050 7.638 1.00 64.30 C ATOM 0 H ALA B 125 7.953 -1.709 7.603 1.00 42.20 H new ATOM 0 HA ALA B 125 9.182 -0.227 9.699 1.00 72.20 H new ATOM 0 HB1 ALA B 125 10.288 0.940 7.819 1.00 64.30 H new ATOM 0 HB2 ALA B 125 10.332 -0.827 7.616 1.00 64.30 H new ATOM 0 HB3 ALA B 125 9.174 0.147 6.681 1.00 64.30 H new ATOM 1343 N LEU B 126 6.780 1.231 7.996 1.00 42.20 N ATOM 1344 CA LEU B 126 5.878 2.377 7.989 1.00 3.32 C ATOM 1345 C LEU B 126 5.068 2.439 9.280 1.00 3.21 C ATOM 1346 O LEU B 126 4.726 3.521 9.758 1.00 73.30 O ATOM 1347 CB LEU B 126 4.936 2.304 6.785 1.00 32.50 C ATOM 1348 CG LEU B 126 5.481 2.927 5.500 1.00 63.40 C ATOM 1349 CD1 LEU B 126 4.967 2.174 4.282 1.00 40.30 C ATOM 1350 CD2 LEU B 126 5.100 4.398 5.418 1.00 0.31 C ATOM 0 H LEU B 126 6.562 0.519 7.299 1.00 42.20 H new ATOM 0 HA LEU B 126 6.481 3.282 7.915 1.00 3.32 H new ATOM 0 HB2 LEU B 126 4.698 1.258 6.591 1.00 32.50 H new ATOM 0 HB3 LEU B 126 4.001 2.801 7.044 1.00 32.50 H new ATOM 0 HG LEU B 126 6.568 2.853 5.516 1.00 63.40 H new ATOM 0 HD11 LEU B 126 5.365 2.632 3.376 1.00 40.30 H new ATOM 0 HD12 LEU B 126 5.289 1.134 4.335 1.00 40.30 H new ATOM 0 HD13 LEU B 126 3.878 2.216 4.261 1.00 40.30 H new ATOM 0 HD21 LEU B 126 5.496 4.826 4.497 1.00 0.31 H new ATOM 0 HD22 LEU B 126 4.014 4.494 5.425 1.00 0.31 H new ATOM 0 HD23 LEU B 126 5.516 4.930 6.273 1.00 0.31 H new ATOM 1362 N GLY B 127 4.765 1.273 9.839 1.00 14.40 N ATOM 1363 CA GLY B 127 3.997 1.217 11.069 1.00 0.23 C ATOM 1364 C GLY B 127 4.819 0.722 12.244 1.00 13.00 C ATOM 1365 O GLY B 127 4.458 -0.260 12.893 1.00 63.10 O ATOM 0 H GLY B 127 5.038 0.365 9.462 1.00 14.40 H new ATOM 0 HA2 GLY B 127 3.606 2.209 11.295 1.00 0.23 H new ATOM 0 HA3 GLY B 127 3.138 0.561 10.928 1.00 0.23 H new ATOM 1369 N VAL B 128 5.927 1.404 12.517 1.00 62.10 N ATOM 1370 CA VAL B 128 6.802 1.029 13.620 1.00 40.20 C ATOM 1371 C VAL B 128 6.741 2.058 14.745 1.00 35.40 C ATOM 1372 O VAL B 128 6.906 1.722 15.918 1.00 74.40 O ATOM 1373 CB VAL B 128 8.263 0.877 13.152 1.00 33.40 C ATOM 1374 CG1 VAL B 128 8.794 2.195 12.609 1.00 2.15 C ATOM 1375 CG2 VAL B 128 9.140 0.367 14.286 1.00 44.20 C ATOM 0 H VAL B 128 6.239 2.219 11.989 1.00 62.10 H new ATOM 0 HA VAL B 128 6.448 0.068 13.993 1.00 40.20 H new ATOM 0 HB VAL B 128 8.289 0.143 12.346 1.00 33.40 H new ATOM 0 HG11 VAL B 128 9.826 2.065 12.284 1.00 2.15 H new ATOM 0 HG12 VAL B 128 8.185 2.512 11.763 1.00 2.15 H new ATOM 0 HG13 VAL B 128 8.752 2.954 13.390 1.00 2.15 H new ATOM 0 HG21 VAL B 128 10.167 0.267 13.935 1.00 44.20 H new ATOM 0 HG22 VAL B 128 9.108 1.072 15.116 1.00 44.20 H new ATOM 0 HG23 VAL B 128 8.774 -0.604 14.620 1.00 44.20 H new ATOM 1385 N ASP B 129 6.501 3.314 14.379 1.00 4.52 N ATOM 1386 CA ASP B 129 6.416 4.392 15.357 1.00 21.20 C ATOM 1387 C ASP B 129 5.421 5.457 14.909 1.00 13.20 C ATOM 1388 O ASP B 129 5.409 6.548 15.516 1.00 41.50 O ATOM 1389 CB ASP B 129 7.794 5.023 15.571 1.00 31.00 C ATOM 1390 CG ASP B 129 8.655 4.221 16.527 1.00 55.30 C ATOM 1391 OD1 ASP B 129 8.164 3.877 17.623 1.00 52.00 O ATOM 1392 OD2 ASP B 129 9.821 3.938 16.180 1.00 54.30 O ATOM 1393 OXT ASP B 129 4.661 5.190 13.955 1.00 37.20 O ATOM 0 H ASP B 129 6.362 3.609 13.413 1.00 4.52 H new ATOM 0 HA ASP B 129 6.067 3.968 16.298 1.00 21.20 H new ATOM 0 HB2 ASP B 129 8.304 5.109 14.612 1.00 31.00 H new ATOM 0 HB3 ASP B 129 7.671 6.034 15.958 1.00 31.00 H new TER 1398 ASP B 129