USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 840 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 LYS NZ :NH3+ 159:sc= 1.08 (180deg=0) USER MOD Set 1.2: A 64 GLN : amide:sc= 0.887 K(o=2,f=-3) USER MOD Set 2.1: A 32 ASN : amide:sc= -0.243 K(o=1,f=-7.2!) USER MOD Set 2.2: A 98 LYS NZ :NH3+ -115:sc= 1.27 (180deg=0) USER MOD Single : A 1 GLN : amide:sc= 0.331 K(o=0.33,f=-7.4!) USER MOD Single : A 1 GLN N :NH3+ -162:sc= 1.22 (180deg=0.448) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc=-0.00612 USER MOD Single : A 9 GLN : amide:sc= 0.886 K(o=0.89,f=-0.1) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0539 X(o=-0.054,f=0) USER MOD Single : A 23 ASN : amide:sc= -1.61 K(o=-1.6,f=0.032) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -1.1 K(o=-1.1,f=-2.6!) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -179:sc= -1.69 (180deg=-1.7) USER MOD Single : A 39 SER OG : rot -77:sc= 0.677 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0.0838 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.728 K(o=0.73,f=-2.2) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.43 X(o=-0.43,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0222 USER MOD Single : A 66 ASN : amide:sc= 1.34 K(o=1.3,f=-0.76) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00808 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc=-0.000702 X(o=-0.0007,f=-0.48) USER MOD Single : A 90 HIS : no HD1:sc= -0.331 X(o=-0.33,f=0.0016) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0.556 K(o=0.56,f=-4.8!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= -0.117 K(o=-0.12,f=-0.83) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 26:sc= 0.584 USER MOD Single : A 124 SER OG : rot 6:sc= 0.657 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -5.097 67.529 37.392 1.00 73.41 N ATOM 2 CA GLN A 1 -6.275 67.952 36.608 1.00 54.04 C ATOM 3 C GLN A 1 -5.949 69.048 35.584 1.00 2.22 C ATOM 4 O GLN A 1 -6.728 69.200 34.646 1.00 41.14 O ATOM 5 CB GLN A 1 -7.529 68.265 37.470 1.00 52.25 C ATOM 6 CG GLN A 1 -7.635 69.625 38.200 1.00 34.43 C ATOM 7 CD GLN A 1 -6.712 69.748 39.409 1.00 72.33 C ATOM 8 OE1 GLN A 1 -5.556 69.346 39.330 1.00 61.51 O ATOM 9 NE2 GLN A 1 -7.180 70.272 40.528 1.00 14.00 N ATOM 0 H1 GLN A 1 -5.287 66.608 37.835 1.00 73.41 H new ATOM 0 H2 GLN A 1 -4.273 67.447 36.763 1.00 73.41 H new ATOM 0 H3 GLN A 1 -4.900 68.234 38.131 1.00 73.41 H new ATOM 0 HA GLN A 1 -6.558 67.076 36.025 1.00 54.04 H new ATOM 0 HB2 GLN A 1 -8.401 68.174 36.822 1.00 52.25 H new ATOM 0 HB3 GLN A 1 -7.609 67.483 38.225 1.00 52.25 H new ATOM 0 HG2 GLN A 1 -7.404 70.424 37.495 1.00 34.43 H new ATOM 0 HG3 GLN A 1 -8.665 69.774 38.524 1.00 34.43 H new ATOM 0 HE21 GLN A 1 -8.145 70.600 40.573 1.00 14.00 H new ATOM 0 HE22 GLN A 1 -6.577 70.348 41.347 1.00 14.00 H new ATOM 16 N ALA A 2 -4.832 69.787 35.705 1.00 15.33 N ATOM 17 CA ALA A 2 -4.391 70.688 34.644 1.00 21.41 C ATOM 18 C ALA A 2 -3.670 69.838 33.589 1.00 42.32 C ATOM 19 O ALA A 2 -2.445 69.775 33.596 1.00 24.31 O ATOM 20 CB ALA A 2 -3.489 71.778 35.242 1.00 64.22 C ATOM 0 H ALA A 2 -4.226 69.773 36.525 1.00 15.33 H new ATOM 0 HA ALA A 2 -5.228 71.199 34.169 1.00 21.41 H new ATOM 0 HB1 ALA A 2 -3.159 72.451 34.451 1.00 64.22 H new ATOM 0 HB2 ALA A 2 -4.047 72.342 35.990 1.00 64.22 H new ATOM 0 HB3 ALA A 2 -2.620 71.315 35.710 1.00 64.22 H new ATOM 26 N GLN A 3 -4.435 69.116 32.761 1.00 20.51 N ATOM 27 CA GLN A 3 -3.925 67.998 31.961 1.00 32.22 C ATOM 28 C GLN A 3 -3.092 67.045 32.852 1.00 71.31 C ATOM 29 O GLN A 3 -3.370 66.910 34.055 1.00 54.12 O ATOM 30 CB GLN A 3 -3.209 68.505 30.684 1.00 63.21 C ATOM 31 CG GLN A 3 -4.110 69.358 29.774 1.00 71.14 C ATOM 32 CD GLN A 3 -3.405 69.730 28.468 1.00 52.03 C ATOM 33 OE1 GLN A 3 -2.327 70.300 28.472 1.00 43.14 O ATOM 34 NE2 GLN A 3 -3.992 69.430 27.318 1.00 62.52 N ATOM 0 H GLN A 3 -5.431 69.293 32.627 1.00 20.51 H new ATOM 0 HA GLN A 3 -4.753 67.397 31.584 1.00 32.22 H new ATOM 0 HB2 GLN A 3 -2.338 69.093 30.974 1.00 63.21 H new ATOM 0 HB3 GLN A 3 -2.841 67.649 30.119 1.00 63.21 H new ATOM 0 HG2 GLN A 3 -5.025 68.809 29.550 1.00 71.14 H new ATOM 0 HG3 GLN A 3 -4.404 70.266 30.301 1.00 71.14 H new ATOM 0 HE21 GLN A 3 -4.894 68.953 27.315 1.00 62.52 H new ATOM 0 HE22 GLN A 3 -3.542 69.676 26.436 1.00 62.52 H new ATOM 41 N GLY A 4 -2.157 66.314 32.243 1.00 35.50 N ATOM 42 CA GLY A 4 -1.153 65.449 32.837 1.00 4.11 C ATOM 43 C GLY A 4 -0.235 64.968 31.709 1.00 15.12 C ATOM 44 O GLY A 4 -0.444 65.342 30.553 1.00 31.32 O ATOM 0 H GLY A 4 -2.082 66.318 31.226 1.00 35.50 H new ATOM 0 HA2 GLY A 4 -0.582 65.987 33.593 1.00 4.11 H new ATOM 0 HA3 GLY A 4 -1.623 64.602 33.336 1.00 4.11 H new ATOM 48 N VAL A 5 0.755 64.130 32.014 1.00 20.40 N ATOM 49 CA VAL A 5 1.396 63.296 31.008 1.00 54.24 C ATOM 50 C VAL A 5 0.506 62.064 30.852 1.00 2.24 C ATOM 51 O VAL A 5 0.021 61.518 31.845 1.00 60.44 O ATOM 52 CB VAL A 5 2.849 62.941 31.399 1.00 53.13 C ATOM 53 CG1 VAL A 5 3.756 64.169 31.226 1.00 74.54 C ATOM 54 CG2 VAL A 5 3.020 62.405 32.831 1.00 51.13 C ATOM 0 H VAL A 5 1.129 64.013 32.956 1.00 20.40 H new ATOM 0 HA VAL A 5 1.490 63.819 30.056 1.00 54.24 H new ATOM 0 HB VAL A 5 3.133 62.131 30.727 1.00 53.13 H new ATOM 0 HG11 VAL A 5 4.777 63.909 31.504 1.00 74.54 H new ATOM 0 HG12 VAL A 5 3.734 64.494 30.186 1.00 74.54 H new ATOM 0 HG13 VAL A 5 3.401 64.977 31.866 1.00 74.54 H new ATOM 0 HG21 VAL A 5 4.072 62.184 33.014 1.00 51.13 H new ATOM 0 HG22 VAL A 5 2.678 63.155 33.544 1.00 51.13 H new ATOM 0 HG23 VAL A 5 2.432 61.495 32.952 1.00 51.13 H new ATOM 64 N LEU A 6 0.264 61.651 29.613 1.00 34.33 N ATOM 65 CA LEU A 6 -0.498 60.457 29.265 1.00 2.20 C ATOM 66 C LEU A 6 0.271 59.765 28.145 1.00 63.32 C ATOM 67 O LEU A 6 0.140 60.148 26.986 1.00 34.41 O ATOM 68 CB LEU A 6 -1.943 60.784 28.826 1.00 61.22 C ATOM 69 CG LEU A 6 -2.872 61.304 29.945 1.00 64.32 C ATOM 70 CD1 LEU A 6 -2.900 62.836 30.014 1.00 44.03 C ATOM 71 CD2 LEU A 6 -4.310 60.819 29.719 1.00 32.42 C ATOM 0 H LEU A 6 0.605 62.156 28.795 1.00 34.33 H new ATOM 0 HA LEU A 6 -0.601 59.812 30.138 1.00 2.20 H new ATOM 0 HB2 LEU A 6 -1.904 61.531 28.033 1.00 61.22 H new ATOM 0 HB3 LEU A 6 -2.387 59.886 28.397 1.00 61.22 H new ATOM 0 HG LEU A 6 -2.472 60.913 30.880 1.00 64.32 H new ATOM 0 HD11 LEU A 6 -3.567 63.152 30.816 1.00 44.03 H new ATOM 0 HD12 LEU A 6 -1.895 63.210 30.209 1.00 44.03 H new ATOM 0 HD13 LEU A 6 -3.258 63.236 29.066 1.00 44.03 H new ATOM 0 HD21 LEU A 6 -4.950 61.195 30.517 1.00 32.42 H new ATOM 0 HD22 LEU A 6 -4.672 61.188 28.759 1.00 32.42 H new ATOM 0 HD23 LEU A 6 -4.331 59.729 29.720 1.00 32.42 H new ATOM 82 N ALA A 7 1.114 58.790 28.488 1.00 71.11 N ATOM 83 CA ALA A 7 1.820 57.940 27.539 1.00 71.43 C ATOM 84 C ALA A 7 2.053 56.580 28.189 1.00 23.43 C ATOM 85 O ALA A 7 1.929 56.442 29.407 1.00 21.54 O ATOM 86 CB ALA A 7 3.150 58.591 27.135 1.00 13.30 C ATOM 0 H ALA A 7 1.328 58.567 29.460 1.00 71.11 H new ATOM 0 HA ALA A 7 1.226 57.811 26.634 1.00 71.43 H new ATOM 0 HB1 ALA A 7 3.670 57.947 26.425 1.00 13.30 H new ATOM 0 HB2 ALA A 7 2.956 59.559 26.672 1.00 13.30 H new ATOM 0 HB3 ALA A 7 3.771 58.730 28.020 1.00 13.30 H new ATOM 92 N SER A 8 2.379 55.583 27.372 1.00 75.51 N ATOM 93 CA SER A 8 2.645 54.205 27.746 1.00 21.52 C ATOM 94 C SER A 8 3.222 53.512 26.498 1.00 33.14 C ATOM 95 O SER A 8 3.347 54.144 25.447 1.00 62.52 O ATOM 96 CB SER A 8 1.330 53.566 28.224 1.00 53.43 C ATOM 97 OG SER A 8 1.542 52.265 28.735 1.00 55.31 O ATOM 0 H SER A 8 2.469 55.730 26.367 1.00 75.51 H new ATOM 0 HA SER A 8 3.361 54.115 28.563 1.00 21.52 H new ATOM 0 HB2 SER A 8 0.879 54.192 28.994 1.00 53.43 H new ATOM 0 HB3 SER A 8 0.623 53.522 27.395 1.00 53.43 H new ATOM 0 HG SER A 8 0.688 51.887 29.032 1.00 55.31 H new ATOM 102 N GLN A 9 3.541 52.222 26.597 1.00 62.55 N ATOM 103 CA GLN A 9 3.920 51.356 25.490 1.00 0.41 C ATOM 104 C GLN A 9 3.157 50.043 25.682 1.00 4.43 C ATOM 105 O GLN A 9 2.874 49.650 26.815 1.00 35.53 O ATOM 106 CB GLN A 9 5.449 51.163 25.500 1.00 2.22 C ATOM 107 CG GLN A 9 5.998 50.269 24.375 1.00 3.43 C ATOM 108 CD GLN A 9 5.683 50.812 22.981 1.00 64.35 C ATOM 109 OE1 GLN A 9 6.051 51.924 22.639 1.00 75.31 O ATOM 110 NE2 GLN A 9 4.985 50.062 22.143 1.00 75.34 N ATOM 0 H GLN A 9 3.541 51.734 27.493 1.00 62.55 H new ATOM 0 HA GLN A 9 3.666 51.779 24.518 1.00 0.41 H new ATOM 0 HB2 GLN A 9 5.924 52.142 25.431 1.00 2.22 H new ATOM 0 HB3 GLN A 9 5.740 50.734 26.459 1.00 2.22 H new ATOM 0 HG2 GLN A 9 7.078 50.173 24.487 1.00 3.43 H new ATOM 0 HG3 GLN A 9 5.577 49.268 24.474 1.00 3.43 H new ATOM 0 HE21 GLN A 9 4.676 49.132 22.427 1.00 75.34 H new ATOM 0 HE22 GLN A 9 4.756 50.414 21.213 1.00 75.34 H new ATOM 117 N ALA A 10 2.839 49.351 24.587 1.00 4.41 N ATOM 118 CA ALA A 10 2.201 48.040 24.599 1.00 61.14 C ATOM 119 C ALA A 10 2.799 47.174 23.487 1.00 43.32 C ATOM 120 O ALA A 10 3.604 47.653 22.686 1.00 54.24 O ATOM 121 CB ALA A 10 0.684 48.211 24.433 1.00 43.44 C ATOM 0 H ALA A 10 3.024 49.698 23.646 1.00 4.41 H new ATOM 0 HA ALA A 10 2.381 47.538 25.550 1.00 61.14 H new ATOM 0 HB1 ALA A 10 0.204 47.232 24.442 1.00 43.44 H new ATOM 0 HB2 ALA A 10 0.294 48.813 25.253 1.00 43.44 H new ATOM 0 HB3 ALA A 10 0.475 48.709 23.486 1.00 43.44 H new ATOM 127 N LEU A 11 2.394 45.906 23.435 1.00 11.32 N ATOM 128 CA LEU A 11 2.732 44.923 22.416 1.00 21.30 C ATOM 129 C LEU A 11 1.532 43.997 22.218 1.00 52.45 C ATOM 130 O LEU A 11 0.590 44.035 23.010 1.00 34.32 O ATOM 131 CB LEU A 11 4.024 44.165 22.799 1.00 21.52 C ATOM 132 CG LEU A 11 4.034 43.135 23.958 1.00 64.34 C ATOM 133 CD1 LEU A 11 3.483 43.679 25.281 1.00 13.12 C ATOM 134 CD2 LEU A 11 3.352 41.799 23.632 1.00 31.53 C ATOM 0 H LEU A 11 1.782 45.516 24.152 1.00 11.32 H new ATOM 0 HA LEU A 11 2.943 45.412 21.465 1.00 21.30 H new ATOM 0 HB2 LEU A 11 4.364 43.642 21.905 1.00 21.52 H new ATOM 0 HB3 LEU A 11 4.777 44.917 23.034 1.00 21.52 H new ATOM 0 HG LEU A 11 5.099 42.939 24.085 1.00 64.34 H new ATOM 0 HD11 LEU A 11 3.524 42.898 26.041 1.00 13.12 H new ATOM 0 HD12 LEU A 11 4.083 44.530 25.603 1.00 13.12 H new ATOM 0 HD13 LEU A 11 2.449 43.996 25.142 1.00 13.12 H new ATOM 0 HD21 LEU A 11 3.407 41.141 24.499 1.00 31.53 H new ATOM 0 HD22 LEU A 11 2.307 41.977 23.377 1.00 31.53 H new ATOM 0 HD23 LEU A 11 3.857 41.329 22.788 1.00 31.53 H new ATOM 145 N SER A 12 1.558 43.159 21.186 1.00 35.33 N ATOM 146 CA SER A 12 0.663 42.014 21.047 1.00 72.41 C ATOM 147 C SER A 12 1.407 40.942 20.249 1.00 20.51 C ATOM 148 O SER A 12 2.290 41.271 19.454 1.00 75.14 O ATOM 149 CB SER A 12 -0.664 42.439 20.392 1.00 4.33 C ATOM 150 OG SER A 12 -0.471 43.341 19.315 1.00 53.11 O ATOM 0 H SER A 12 2.212 43.258 20.410 1.00 35.33 H new ATOM 0 HA SER A 12 0.392 41.604 22.020 1.00 72.41 H new ATOM 0 HB2 SER A 12 -1.188 41.554 20.031 1.00 4.33 H new ATOM 0 HB3 SER A 12 -1.303 42.904 21.142 1.00 4.33 H new ATOM 0 HG SER A 12 -1.340 43.581 18.930 1.00 53.11 H new ATOM 155 N GLN A 13 1.090 39.666 20.476 1.00 33.40 N ATOM 156 CA GLN A 13 1.741 38.542 19.811 1.00 1.04 C ATOM 157 C GLN A 13 0.794 37.343 19.816 1.00 60.14 C ATOM 158 O GLN A 13 0.507 36.793 20.886 1.00 35.53 O ATOM 159 CB GLN A 13 3.106 38.240 20.469 1.00 15.32 C ATOM 160 CG GLN A 13 3.105 37.984 21.992 1.00 11.24 C ATOM 161 CD GLN A 13 3.491 36.546 22.332 1.00 74.24 C ATOM 162 OE1 GLN A 13 4.616 36.127 22.074 1.00 3.02 O ATOM 163 NE2 GLN A 13 2.618 35.760 22.936 1.00 4.11 N ATOM 0 H GLN A 13 0.365 39.384 21.135 1.00 33.40 H new ATOM 0 HA GLN A 13 1.955 38.789 18.771 1.00 1.04 H new ATOM 0 HB2 GLN A 13 3.533 37.366 19.978 1.00 15.32 H new ATOM 0 HB3 GLN A 13 3.773 39.078 20.266 1.00 15.32 H new ATOM 0 HG2 GLN A 13 3.801 38.670 22.475 1.00 11.24 H new ATOM 0 HG3 GLN A 13 2.115 38.198 22.395 1.00 11.24 H new ATOM 0 HE21 GLN A 13 1.683 36.107 23.151 1.00 4.11 H new ATOM 0 HE22 GLN A 13 2.879 34.806 23.187 1.00 4.11 H new ATOM 170 N GLY A 14 0.232 36.973 18.667 1.00 32.51 N ATOM 171 CA GLY A 14 -0.758 35.911 18.610 1.00 11.30 C ATOM 172 C GLY A 14 -1.087 35.537 17.181 1.00 62.14 C ATOM 173 O GLY A 14 -2.046 36.067 16.623 1.00 12.22 O ATOM 0 H GLY A 14 0.449 37.396 17.765 1.00 32.51 H new ATOM 0 HA2 GLY A 14 -0.384 35.035 19.140 1.00 11.30 H new ATOM 0 HA3 GLY A 14 -1.666 36.230 19.122 1.00 11.30 H new ATOM 177 N SER A 15 -0.309 34.628 16.595 1.00 2.13 N ATOM 178 CA SER A 15 -0.634 34.016 15.319 1.00 24.11 C ATOM 179 C SER A 15 0.026 32.644 15.234 1.00 15.04 C ATOM 180 O SER A 15 1.229 32.538 15.467 1.00 75.24 O ATOM 181 CB SER A 15 -0.180 34.922 14.174 1.00 43.03 C ATOM 182 OG SER A 15 1.074 35.558 14.403 1.00 62.52 O ATOM 0 H SER A 15 0.568 34.298 16.999 1.00 2.13 H new ATOM 0 HA SER A 15 -1.713 33.887 15.235 1.00 24.11 H new ATOM 0 HB2 SER A 15 -0.115 34.331 13.260 1.00 43.03 H new ATOM 0 HB3 SER A 15 -0.939 35.686 14.006 1.00 43.03 H new ATOM 0 HG SER A 15 1.302 36.119 13.632 1.00 62.52 H new ATOM 187 N GLU A 16 -0.746 31.619 14.880 1.00 20.34 N ATOM 188 CA GLU A 16 -0.309 30.244 14.630 1.00 32.21 C ATOM 189 C GLU A 16 -1.296 29.584 13.644 1.00 40.42 C ATOM 190 O GLU A 16 -2.434 30.063 13.532 1.00 64.54 O ATOM 191 CB GLU A 16 -0.247 29.440 15.949 1.00 54.04 C ATOM 192 CG GLU A 16 1.106 29.591 16.660 1.00 74.43 C ATOM 193 CD GLU A 16 1.320 28.529 17.738 1.00 73.14 C ATOM 194 OE1 GLU A 16 1.731 27.394 17.399 1.00 3.41 O ATOM 195 OE2 GLU A 16 1.118 28.842 18.939 1.00 52.33 O ATOM 0 H GLU A 16 -1.752 31.731 14.752 1.00 20.34 H new ATOM 0 HA GLU A 16 0.693 30.254 14.200 1.00 32.21 H new ATOM 0 HB2 GLU A 16 -1.044 29.774 16.614 1.00 54.04 H new ATOM 0 HB3 GLU A 16 -0.429 28.386 15.739 1.00 54.04 H new ATOM 0 HG2 GLU A 16 1.909 29.526 15.925 1.00 74.43 H new ATOM 0 HG3 GLU A 16 1.167 30.581 17.112 1.00 74.43 H new ATOM 200 N PRO A 17 -0.893 28.507 12.940 1.00 1.02 N ATOM 201 CA PRO A 17 -1.727 27.782 11.974 1.00 73.35 C ATOM 202 C PRO A 17 -2.813 26.917 12.634 1.00 63.33 C ATOM 203 O PRO A 17 -2.815 26.759 13.857 1.00 62.32 O ATOM 204 CB PRO A 17 -0.739 26.915 11.186 1.00 32.33 C ATOM 205 CG PRO A 17 0.357 26.621 12.202 1.00 1.01 C ATOM 206 CD PRO A 17 0.452 27.936 12.964 1.00 74.32 C ATOM 0 HA PRO A 17 -2.282 28.478 11.345 1.00 73.35 H new ATOM 0 HB2 PRO A 17 -1.207 26.000 10.823 1.00 32.33 H new ATOM 0 HB3 PRO A 17 -0.349 27.441 10.314 1.00 32.33 H new ATOM 0 HG2 PRO A 17 0.093 25.790 12.856 1.00 1.01 H new ATOM 0 HG3 PRO A 17 1.299 26.361 11.720 1.00 1.01 H new ATOM 0 HD2 PRO A 17 0.789 27.772 13.987 1.00 74.32 H new ATOM 0 HD3 PRO A 17 1.171 28.608 12.496 1.00 74.32 H new ATOM 211 N SER A 18 -3.720 26.332 11.835 1.00 60.15 N ATOM 212 CA SER A 18 -4.574 25.237 12.306 1.00 4.14 C ATOM 213 C SER A 18 -5.147 24.307 11.221 1.00 20.43 C ATOM 214 O SER A 18 -5.766 23.303 11.580 1.00 44.33 O ATOM 215 CB SER A 18 -5.713 25.759 13.191 1.00 54.42 C ATOM 216 OG SER A 18 -6.587 26.677 12.550 1.00 4.20 O ATOM 0 H SER A 18 -3.878 26.600 10.864 1.00 60.15 H new ATOM 0 HA SER A 18 -3.889 24.616 12.883 1.00 4.14 H new ATOM 0 HB2 SER A 18 -6.297 24.910 13.547 1.00 54.42 H new ATOM 0 HB3 SER A 18 -5.282 26.240 14.069 1.00 54.42 H new ATOM 0 HG SER A 18 -7.283 26.959 13.179 1.00 4.20 H new ATOM 221 N SER A 19 -5.004 24.596 9.921 1.00 32.40 N ATOM 222 CA SER A 19 -5.581 23.774 8.855 1.00 74.34 C ATOM 223 C SER A 19 -4.579 23.619 7.709 1.00 14.04 C ATOM 224 O SER A 19 -3.961 24.586 7.252 1.00 24.52 O ATOM 225 CB SER A 19 -6.927 24.370 8.410 1.00 35.50 C ATOM 226 OG SER A 19 -7.713 23.419 7.709 1.00 22.44 O ATOM 0 H SER A 19 -4.485 25.406 9.581 1.00 32.40 H new ATOM 0 HA SER A 19 -5.787 22.769 9.223 1.00 74.34 H new ATOM 0 HB2 SER A 19 -7.475 24.724 9.283 1.00 35.50 H new ATOM 0 HB3 SER A 19 -6.749 25.236 7.773 1.00 35.50 H new ATOM 0 HG SER A 19 -8.562 23.829 7.442 1.00 22.44 H new ATOM 231 N GLU A 20 -4.410 22.378 7.257 1.00 32.14 N ATOM 232 CA GLU A 20 -3.410 21.902 6.309 1.00 22.14 C ATOM 233 C GLU A 20 -4.049 20.765 5.506 1.00 51.32 C ATOM 234 O GLU A 20 -4.735 19.916 6.089 1.00 31.32 O ATOM 235 CB GLU A 20 -2.146 21.414 7.049 1.00 23.22 C ATOM 236 CG GLU A 20 -2.423 20.657 8.364 1.00 64.51 C ATOM 237 CD GLU A 20 -1.489 19.470 8.578 1.00 23.50 C ATOM 238 OE1 GLU A 20 -0.292 19.672 8.892 1.00 35.21 O ATOM 239 OE2 GLU A 20 -1.968 18.315 8.506 1.00 41.04 O ATOM 0 H GLU A 20 -5.018 21.621 7.570 1.00 32.14 H new ATOM 0 HA GLU A 20 -3.097 22.707 5.644 1.00 22.14 H new ATOM 0 HB2 GLU A 20 -1.580 20.763 6.383 1.00 23.22 H new ATOM 0 HB3 GLU A 20 -1.514 22.275 7.267 1.00 23.22 H new ATOM 0 HG2 GLU A 20 -2.322 21.347 9.202 1.00 64.51 H new ATOM 0 HG3 GLU A 20 -3.455 20.305 8.363 1.00 64.51 H new ATOM 244 N ASN A 21 -3.855 20.720 4.182 1.00 0.41 N ATOM 245 CA ASN A 21 -4.278 19.542 3.421 1.00 31.02 C ATOM 246 C ASN A 21 -3.286 18.424 3.698 1.00 3.13 C ATOM 247 O ASN A 21 -2.101 18.603 3.425 1.00 64.41 O ATOM 248 CB ASN A 21 -4.359 19.778 1.907 1.00 34.32 C ATOM 249 CG ASN A 21 -5.265 18.721 1.291 1.00 75.44 C ATOM 250 OD1 ASN A 21 -6.449 18.981 1.103 1.00 54.10 O ATOM 251 ND2 ASN A 21 -4.781 17.515 1.049 1.00 21.32 N ATOM 0 H ASN A 21 -3.422 21.461 3.631 1.00 0.41 H new ATOM 0 HA ASN A 21 -5.288 19.289 3.745 1.00 31.02 H new ATOM 0 HB2 ASN A 21 -4.749 20.775 1.701 1.00 34.32 H new ATOM 0 HB3 ASN A 21 -3.365 19.727 1.464 1.00 34.32 H new ATOM 0 HD21 ASN A 21 -5.395 16.780 0.699 1.00 21.32 H new ATOM 0 HD22 ASN A 21 -3.793 17.320 1.212 1.00 21.32 H new ATOM 257 N ALA A 22 -3.747 17.279 4.196 1.00 72.12 N ATOM 258 CA ALA A 22 -2.918 16.108 4.421 1.00 75.12 C ATOM 259 C ALA A 22 -3.742 14.855 4.138 1.00 0.41 C ATOM 260 O ALA A 22 -4.953 14.926 3.913 1.00 13.21 O ATOM 261 CB ALA A 22 -2.399 16.122 5.860 1.00 32.11 C ATOM 0 H ALA A 22 -4.723 17.141 4.457 1.00 72.12 H new ATOM 0 HA ALA A 22 -2.058 16.114 3.752 1.00 75.12 H new ATOM 0 HB1 ALA A 22 -1.776 15.244 6.031 1.00 32.11 H new ATOM 0 HB2 ALA A 22 -1.808 17.023 6.025 1.00 32.11 H new ATOM 0 HB3 ALA A 22 -3.242 16.109 6.551 1.00 32.11 H new ATOM 267 N ASN A 23 -3.084 13.701 4.162 1.00 62.23 N ATOM 268 CA ASN A 23 -3.711 12.391 4.125 1.00 51.31 C ATOM 269 C ASN A 23 -2.985 11.510 5.141 1.00 20.43 C ATOM 270 O ASN A 23 -1.896 11.884 5.591 1.00 75.25 O ATOM 271 CB ASN A 23 -3.649 11.848 2.690 1.00 22.13 C ATOM 272 CG ASN A 23 -4.428 10.557 2.480 1.00 22.14 C ATOM 273 OD1 ASN A 23 -4.102 9.769 1.599 1.00 34.15 O ATOM 274 ND2 ASN A 23 -5.510 10.337 3.206 1.00 34.12 N ATOM 0 H ASN A 23 -2.066 13.654 4.209 1.00 62.23 H new ATOM 0 HA ASN A 23 -4.766 12.423 4.397 1.00 51.31 H new ATOM 0 HB2 ASN A 23 -4.034 12.607 2.009 1.00 22.13 H new ATOM 0 HB3 ASN A 23 -2.606 11.678 2.422 1.00 22.13 H new ATOM 0 HD21 ASN A 23 -6.079 9.508 3.035 1.00 34.12 H new ATOM 0 HD22 ASN A 23 -5.776 10.996 3.938 1.00 34.12 H new ATOM 280 N ASP A 24 -3.591 10.410 5.574 1.00 44.24 N ATOM 281 CA ASP A 24 -3.048 9.517 6.593 1.00 42.41 C ATOM 282 C ASP A 24 -2.557 8.306 5.814 1.00 12.34 C ATOM 283 O ASP A 24 -3.370 7.561 5.263 1.00 10.13 O ATOM 284 CB ASP A 24 -4.086 9.160 7.671 1.00 5.14 C ATOM 285 CG ASP A 24 -4.380 10.258 8.704 1.00 52.25 C ATOM 286 OD1 ASP A 24 -4.433 11.465 8.366 1.00 14.13 O ATOM 287 OD2 ASP A 24 -4.532 9.960 9.906 1.00 21.33 O ATOM 0 H ASP A 24 -4.497 10.106 5.217 1.00 44.24 H new ATOM 0 HA ASP A 24 -2.241 9.981 7.161 1.00 42.41 H new ATOM 0 HB2 ASP A 24 -5.020 8.894 7.176 1.00 5.14 H new ATOM 0 HB3 ASP A 24 -3.742 8.272 8.201 1.00 5.14 H new ATOM 291 N THR A 25 -1.241 8.169 5.683 1.00 72.35 N ATOM 292 CA THR A 25 -0.606 7.292 4.705 1.00 52.45 C ATOM 293 C THR A 25 0.464 6.468 5.417 1.00 31.12 C ATOM 294 O THR A 25 1.058 6.937 6.392 1.00 52.11 O ATOM 295 CB THR A 25 0.011 8.161 3.593 1.00 60.03 C ATOM 296 OG1 THR A 25 -0.821 9.249 3.228 1.00 20.44 O ATOM 297 CG2 THR A 25 0.276 7.345 2.327 1.00 14.33 C ATOM 0 H THR A 25 -0.573 8.674 6.265 1.00 72.35 H new ATOM 0 HA THR A 25 -1.330 6.613 4.255 1.00 52.45 H new ATOM 0 HB THR A 25 0.944 8.540 4.010 1.00 60.03 H new ATOM 0 HG1 THR A 25 -0.386 9.771 2.522 1.00 20.44 H new ATOM 0 HG21 THR A 25 0.711 7.989 1.563 1.00 14.33 H new ATOM 0 HG22 THR A 25 0.968 6.534 2.555 1.00 14.33 H new ATOM 0 HG23 THR A 25 -0.662 6.929 1.959 1.00 14.33 H new ATOM 305 N ILE A 26 0.735 5.259 4.921 1.00 64.12 N ATOM 306 CA ILE A 26 1.742 4.364 5.479 1.00 73.41 C ATOM 307 C ILE A 26 2.815 4.144 4.407 1.00 72.45 C ATOM 308 O ILE A 26 2.531 4.162 3.205 1.00 22.41 O ATOM 309 CB ILE A 26 1.051 3.078 5.985 1.00 72.22 C ATOM 310 CG1 ILE A 26 0.108 3.390 7.170 1.00 63.12 C ATOM 311 CG2 ILE A 26 2.048 1.981 6.402 1.00 72.03 C ATOM 312 CD1 ILE A 26 -1.023 2.362 7.258 1.00 24.13 C ATOM 0 H ILE A 26 0.253 4.872 4.110 1.00 64.12 H new ATOM 0 HA ILE A 26 2.247 4.782 6.350 1.00 73.41 H new ATOM 0 HB ILE A 26 0.475 2.696 5.142 1.00 72.22 H new ATOM 0 HG12 ILE A 26 0.676 3.391 8.100 1.00 63.12 H new ATOM 0 HG13 ILE A 26 -0.312 4.389 7.052 1.00 63.12 H new ATOM 0 HG21 ILE A 26 1.501 1.104 6.748 1.00 72.03 H new ATOM 0 HG22 ILE A 26 2.667 1.708 5.548 1.00 72.03 H new ATOM 0 HG23 ILE A 26 2.683 2.353 7.206 1.00 72.03 H new ATOM 0 HD11 ILE A 26 -1.671 2.605 8.100 1.00 24.13 H new ATOM 0 HD12 ILE A 26 -1.604 2.380 6.336 1.00 24.13 H new ATOM 0 HD13 ILE A 26 -0.600 1.367 7.401 1.00 24.13 H new ATOM 323 N ILE A 27 4.049 3.940 4.856 1.00 33.42 N ATOM 324 CA ILE A 27 5.257 3.771 4.057 1.00 52.12 C ATOM 325 C ILE A 27 5.973 2.543 4.599 1.00 22.03 C ATOM 326 O ILE A 27 5.867 2.213 5.786 1.00 23.30 O ATOM 327 CB ILE A 27 6.142 5.050 4.104 1.00 75.24 C ATOM 328 CG1 ILE A 27 7.059 5.223 2.874 1.00 34.12 C ATOM 329 CG2 ILE A 27 7.081 5.143 5.320 1.00 33.11 C ATOM 330 CD1 ILE A 27 6.281 5.834 1.717 1.00 32.33 C ATOM 0 H ILE A 27 4.244 3.885 5.856 1.00 33.42 H new ATOM 0 HA ILE A 27 5.019 3.624 3.004 1.00 52.12 H new ATOM 0 HB ILE A 27 5.380 5.829 4.148 1.00 75.24 H new ATOM 0 HG12 ILE A 27 7.905 5.861 3.129 1.00 34.12 H new ATOM 0 HG13 ILE A 27 7.467 4.257 2.577 1.00 34.12 H new ATOM 0 HG21 ILE A 27 7.657 6.067 5.265 1.00 33.11 H new ATOM 0 HG22 ILE A 27 6.491 5.137 6.237 1.00 33.11 H new ATOM 0 HG23 ILE A 27 7.761 4.291 5.320 1.00 33.11 H new ATOM 0 HD11 ILE A 27 6.940 5.950 0.857 1.00 32.33 H new ATOM 0 HD12 ILE A 27 5.450 5.180 1.452 1.00 32.33 H new ATOM 0 HD13 ILE A 27 5.895 6.810 2.013 1.00 32.33 H new ATOM 341 N LEU A 28 6.732 1.876 3.744 1.00 55.23 N ATOM 342 CA LEU A 28 7.467 0.661 4.059 1.00 31.23 C ATOM 343 C LEU A 28 8.937 0.998 3.865 1.00 23.41 C ATOM 344 O LEU A 28 9.268 1.645 2.867 1.00 12.52 O ATOM 345 CB LEU A 28 7.005 -0.444 3.098 1.00 35.44 C ATOM 346 CG LEU A 28 5.509 -0.811 3.256 1.00 65.22 C ATOM 347 CD1 LEU A 28 4.857 -0.958 1.879 1.00 62.24 C ATOM 348 CD2 LEU A 28 5.344 -2.103 4.054 1.00 23.10 C ATOM 0 H LEU A 28 6.858 2.176 2.777 1.00 55.23 H new ATOM 0 HA LEU A 28 7.299 0.307 5.076 1.00 31.23 H new ATOM 0 HB2 LEU A 28 7.186 -0.122 2.072 1.00 35.44 H new ATOM 0 HB3 LEU A 28 7.610 -1.336 3.264 1.00 35.44 H new ATOM 0 HG LEU A 28 5.016 -0.007 3.803 1.00 65.22 H new ATOM 0 HD11 LEU A 28 3.805 -1.216 2.000 1.00 62.24 H new ATOM 0 HD12 LEU A 28 4.939 -0.017 1.335 1.00 62.24 H new ATOM 0 HD13 LEU A 28 5.362 -1.746 1.320 1.00 62.24 H new ATOM 0 HD21 LEU A 28 4.284 -2.338 4.150 1.00 23.10 H new ATOM 0 HD22 LEU A 28 5.851 -2.918 3.537 1.00 23.10 H new ATOM 0 HD23 LEU A 28 5.779 -1.976 5.045 1.00 23.10 H new ATOM 359 N ARG A 29 9.821 0.558 4.765 1.00 72.25 N ATOM 360 CA ARG A 29 11.264 0.808 4.671 1.00 4.22 C ATOM 361 C ARG A 29 12.050 -0.497 4.751 1.00 0.52 C ATOM 362 O ARG A 29 11.521 -1.510 5.208 1.00 43.54 O ATOM 363 CB ARG A 29 11.721 1.779 5.776 1.00 4.41 C ATOM 364 CG ARG A 29 11.063 3.160 5.655 1.00 21.23 C ATOM 365 CD ARG A 29 11.768 4.173 6.563 1.00 4.30 C ATOM 366 NE ARG A 29 10.959 5.362 6.837 1.00 71.34 N ATOM 367 CZ ARG A 29 10.668 6.413 6.066 1.00 43.34 C ATOM 368 NH1 ARG A 29 11.151 6.541 4.834 1.00 4.13 N ATOM 369 NH2 ARG A 29 9.876 7.356 6.556 1.00 41.03 N ATOM 0 H ARG A 29 9.554 0.014 5.586 1.00 72.25 H new ATOM 0 HA ARG A 29 11.463 1.267 3.703 1.00 4.22 H new ATOM 0 HB2 ARG A 29 11.485 1.352 6.751 1.00 4.41 H new ATOM 0 HB3 ARG A 29 12.804 1.891 5.731 1.00 4.41 H new ATOM 0 HG2 ARG A 29 11.105 3.500 4.620 1.00 21.23 H new ATOM 0 HG3 ARG A 29 10.009 3.092 5.926 1.00 21.23 H new ATOM 0 HD2 ARG A 29 12.023 3.690 7.506 1.00 4.30 H new ATOM 0 HD3 ARG A 29 12.705 4.478 6.097 1.00 4.30 H new ATOM 0 HE ARG A 29 10.550 5.393 7.771 1.00 71.34 H new ATOM 0 HH11 ARG A 29 11.765 5.823 4.450 1.00 4.13 H new ATOM 0 HH12 ARG A 29 10.908 7.357 4.273 1.00 4.13 H new ATOM 0 HH21 ARG A 29 9.504 7.269 7.502 1.00 41.03 H new ATOM 0 HH22 ARG A 29 9.639 8.169 5.987 1.00 41.03 H new ATOM 380 N ASN A 30 13.310 -0.443 4.311 1.00 44.21 N ATOM 381 CA ASN A 30 14.322 -1.512 4.294 1.00 53.31 C ATOM 382 C ASN A 30 14.020 -2.596 3.258 1.00 55.52 C ATOM 383 O ASN A 30 14.518 -3.716 3.341 1.00 41.23 O ATOM 384 CB ASN A 30 14.519 -2.121 5.685 1.00 74.33 C ATOM 385 CG ASN A 30 15.785 -2.975 5.779 1.00 15.42 C ATOM 386 OD1 ASN A 30 16.857 -2.554 5.349 1.00 31.11 O ATOM 387 ND2 ASN A 30 15.699 -4.167 6.347 1.00 23.34 N ATOM 0 H ASN A 30 13.684 0.423 3.923 1.00 44.21 H new ATOM 0 HA ASN A 30 15.258 -1.041 3.994 1.00 53.31 H new ATOM 0 HB2 ASN A 30 14.569 -1.321 6.424 1.00 74.33 H new ATOM 0 HB3 ASN A 30 13.653 -2.733 5.936 1.00 74.33 H new ATOM 0 HD21 ASN A 30 16.530 -4.752 6.433 1.00 23.34 H new ATOM 0 HD22 ASN A 30 14.802 -4.501 6.698 1.00 23.34 H new ATOM 393 N LEU A 31 13.186 -2.277 2.272 1.00 35.23 N ATOM 394 CA LEU A 31 12.886 -3.179 1.172 1.00 60.13 C ATOM 395 C LEU A 31 14.106 -3.251 0.273 1.00 43.42 C ATOM 396 O LEU A 31 15.103 -2.541 0.467 1.00 1.33 O ATOM 397 CB LEU A 31 11.682 -2.721 0.326 1.00 35.04 C ATOM 398 CG LEU A 31 10.381 -2.579 1.115 1.00 0.23 C ATOM 399 CD1 LEU A 31 10.419 -1.330 1.961 1.00 35.22 C ATOM 400 CD2 LEU A 31 9.152 -2.482 0.221 1.00 53.54 C ATOM 0 H LEU A 31 12.700 -1.382 2.216 1.00 35.23 H new ATOM 0 HA LEU A 31 12.631 -4.148 1.601 1.00 60.13 H new ATOM 0 HB2 LEU A 31 11.920 -1.763 -0.136 1.00 35.04 H new ATOM 0 HB3 LEU A 31 11.527 -3.435 -0.483 1.00 35.04 H new ATOM 0 HG LEU A 31 10.303 -3.478 1.726 1.00 0.23 H new ATOM 0 HD11 LEU A 31 9.487 -1.240 2.518 1.00 35.22 H new ATOM 0 HD12 LEU A 31 11.255 -1.388 2.658 1.00 35.22 H new ATOM 0 HD13 LEU A 31 10.543 -0.459 1.318 1.00 35.22 H new ATOM 0 HD21 LEU A 31 8.260 -2.383 0.839 1.00 53.54 H new ATOM 0 HD22 LEU A 31 9.242 -1.611 -0.428 1.00 53.54 H new ATOM 0 HD23 LEU A 31 9.073 -3.382 -0.388 1.00 53.54 H new ATOM 411 N ASN A 32 13.991 -4.044 -0.784 1.00 54.51 N ATOM 412 CA ASN A 32 15.071 -4.178 -1.754 1.00 61.15 C ATOM 413 C ASN A 32 14.573 -4.111 -3.190 1.00 41.13 C ATOM 414 O ASN A 32 13.366 -4.264 -3.416 1.00 44.11 O ATOM 415 CB ASN A 32 15.873 -5.451 -1.436 1.00 4.13 C ATOM 416 CG ASN A 32 17.327 -5.148 -1.099 1.00 13.13 C ATOM 417 OD1 ASN A 32 17.717 -4.015 -0.820 1.00 51.52 O ATOM 418 ND2 ASN A 32 18.156 -6.158 -1.074 1.00 24.04 N ATOM 0 H ASN A 32 13.163 -4.603 -0.992 1.00 54.51 H new ATOM 0 HA ASN A 32 15.745 -3.326 -1.666 1.00 61.15 H new ATOM 0 HB2 ASN A 32 15.409 -5.971 -0.598 1.00 4.13 H new ATOM 0 HB3 ASN A 32 15.833 -6.126 -2.291 1.00 4.13 H new ATOM 0 HD21 ASN A 32 19.133 -6.010 -0.822 1.00 24.04 H new ATOM 0 HD22 ASN A 32 17.826 -7.095 -1.306 1.00 24.04 H new ATOM 424 N PRO A 33 15.458 -3.873 -4.176 1.00 55.20 N ATOM 425 CA PRO A 33 15.012 -3.559 -5.519 1.00 35.42 C ATOM 426 C PRO A 33 14.353 -4.733 -6.222 1.00 4.32 C ATOM 427 O PRO A 33 13.529 -4.507 -7.104 1.00 53.33 O ATOM 428 CB PRO A 33 16.238 -3.111 -6.295 1.00 31.42 C ATOM 429 CG PRO A 33 17.413 -3.685 -5.533 1.00 31.34 C ATOM 430 CD PRO A 33 16.907 -3.730 -4.091 1.00 73.32 C ATOM 0 HA PRO A 33 14.250 -2.782 -5.466 1.00 35.42 H new ATOM 0 HB2 PRO A 33 16.213 -3.481 -7.320 1.00 31.42 H new ATOM 0 HB3 PRO A 33 16.296 -2.024 -6.349 1.00 31.42 H new ATOM 0 HG2 PRO A 33 17.682 -4.677 -5.896 1.00 31.34 H new ATOM 0 HG3 PRO A 33 18.300 -3.059 -5.629 1.00 31.34 H new ATOM 0 HD2 PRO A 33 17.350 -4.565 -3.548 1.00 73.32 H new ATOM 0 HD3 PRO A 33 17.178 -2.821 -3.554 1.00 73.32 H new ATOM 435 N HIS A 34 14.700 -5.958 -5.832 1.00 4.35 N ATOM 436 CA HIS A 34 14.082 -7.162 -6.351 1.00 41.11 C ATOM 437 C HIS A 34 12.890 -7.605 -5.480 1.00 32.34 C ATOM 438 O HIS A 34 12.350 -8.699 -5.674 1.00 11.32 O ATOM 439 CB HIS A 34 15.151 -8.257 -6.433 1.00 20.02 C ATOM 440 CG HIS A 34 16.188 -7.956 -7.492 1.00 20.25 C ATOM 441 ND1 HIS A 34 16.028 -8.133 -8.848 1.00 63.31 N ATOM 442 CD2 HIS A 34 17.415 -7.381 -7.296 1.00 24.02 C ATOM 443 CE1 HIS A 34 17.139 -7.683 -9.452 1.00 52.20 C ATOM 444 NE2 HIS A 34 18.012 -7.207 -8.550 1.00 55.41 N ATOM 0 H HIS A 34 15.427 -6.137 -5.139 1.00 4.35 H new ATOM 0 HA HIS A 34 13.681 -6.966 -7.345 1.00 41.11 H new ATOM 0 HB2 HIS A 34 15.641 -8.359 -5.465 1.00 20.02 H new ATOM 0 HB3 HIS A 34 14.675 -9.213 -6.652 1.00 20.02 H new ATOM 0 HD2 HIS A 34 17.846 -7.110 -6.343 1.00 24.02 H new ATOM 0 HE1 HIS A 34 17.308 -7.701 -10.519 1.00 52.20 H new ATOM 0 HE2 HIS A 34 18.928 -6.800 -8.740 1.00 55.41 H new ATOM 451 N SER A 35 12.492 -6.817 -4.471 1.00 75.03 N ATOM 452 CA SER A 35 11.380 -7.169 -3.622 1.00 41.31 C ATOM 453 C SER A 35 10.090 -7.139 -4.462 1.00 43.32 C ATOM 454 O SER A 35 10.035 -6.550 -5.548 1.00 34.35 O ATOM 455 CB SER A 35 11.308 -6.284 -2.376 1.00 74.22 C ATOM 456 OG SER A 35 10.509 -6.865 -1.354 1.00 3.41 O ATOM 0 H SER A 35 12.936 -5.930 -4.234 1.00 75.03 H new ATOM 0 HA SER A 35 11.517 -8.180 -3.238 1.00 41.31 H new ATOM 0 HB2 SER A 35 12.315 -6.112 -1.995 1.00 74.22 H new ATOM 0 HB3 SER A 35 10.899 -5.310 -2.646 1.00 74.22 H new ATOM 0 HG SER A 35 10.490 -6.270 -0.576 1.00 3.41 H new ATOM 461 N THR A 36 9.032 -7.721 -3.928 1.00 63.00 N ATOM 462 CA THR A 36 7.720 -7.853 -4.562 1.00 64.24 C ATOM 463 C THR A 36 6.629 -7.465 -3.569 1.00 14.32 C ATOM 464 O THR A 36 6.803 -7.619 -2.360 1.00 72.12 O ATOM 465 CB THR A 36 7.521 -9.290 -5.086 1.00 21.32 C ATOM 466 OG1 THR A 36 8.293 -10.221 -4.349 1.00 2.54 O ATOM 467 CG2 THR A 36 7.983 -9.398 -6.534 1.00 1.41 C ATOM 0 H THR A 36 9.059 -8.136 -2.997 1.00 63.00 H new ATOM 0 HA THR A 36 7.660 -7.179 -5.417 1.00 64.24 H new ATOM 0 HB THR A 36 6.458 -9.511 -4.988 1.00 21.32 H new ATOM 0 HG1 THR A 36 8.144 -11.122 -4.703 1.00 2.54 H new ATOM 0 HG21 THR A 36 7.836 -10.418 -6.888 1.00 1.41 H new ATOM 0 HG22 THR A 36 7.404 -8.712 -7.153 1.00 1.41 H new ATOM 0 HG23 THR A 36 9.040 -9.141 -6.599 1.00 1.41 H new ATOM 475 N MET A 37 5.511 -6.928 -4.062 1.00 3.21 N ATOM 476 CA MET A 37 4.447 -6.348 -3.244 1.00 34.12 C ATOM 477 C MET A 37 3.763 -7.368 -2.332 1.00 23.02 C ATOM 478 O MET A 37 3.116 -7.008 -1.350 1.00 50.43 O ATOM 479 CB MET A 37 3.429 -5.711 -4.194 1.00 4.11 C ATOM 480 CG MET A 37 2.445 -6.712 -4.812 1.00 71.43 C ATOM 481 SD MET A 37 1.589 -6.104 -6.285 1.00 61.03 S ATOM 482 CE MET A 37 0.840 -4.623 -5.581 1.00 31.04 C ATOM 0 H MET A 37 5.317 -6.884 -5.062 1.00 3.21 H new ATOM 0 HA MET A 37 4.887 -5.607 -2.576 1.00 34.12 H new ATOM 0 HB2 MET A 37 2.866 -4.951 -3.652 1.00 4.11 H new ATOM 0 HB3 MET A 37 3.964 -5.201 -4.995 1.00 4.11 H new ATOM 0 HG2 MET A 37 2.986 -7.622 -5.070 1.00 71.43 H new ATOM 0 HG3 MET A 37 1.703 -6.984 -4.062 1.00 71.43 H new ATOM 0 HE1 MET A 37 0.249 -4.116 -6.344 1.00 31.04 H new ATOM 0 HE2 MET A 37 0.195 -4.902 -4.748 1.00 31.04 H new ATOM 0 HE3 MET A 37 1.623 -3.954 -5.225 1.00 31.04 H new ATOM 490 N ASP A 38 3.872 -8.647 -2.687 1.00 34.03 N ATOM 491 CA ASP A 38 3.137 -9.729 -2.058 1.00 34.21 C ATOM 492 C ASP A 38 3.669 -10.005 -0.654 1.00 12.41 C ATOM 493 O ASP A 38 2.962 -10.627 0.139 1.00 14.24 O ATOM 494 CB ASP A 38 3.171 -10.970 -2.957 1.00 71.41 C ATOM 495 CG ASP A 38 2.601 -10.645 -4.339 1.00 64.01 C ATOM 496 OD1 ASP A 38 3.379 -10.170 -5.195 1.00 31.35 O ATOM 497 OD2 ASP A 38 1.374 -10.768 -4.561 1.00 45.31 O ATOM 0 H ASP A 38 4.488 -8.961 -3.437 1.00 34.03 H new ATOM 0 HA ASP A 38 2.093 -9.438 -1.939 1.00 34.21 H new ATOM 0 HB2 ASP A 38 4.196 -11.328 -3.055 1.00 71.41 H new ATOM 0 HB3 ASP A 38 2.595 -11.774 -2.499 1.00 71.41 H new ATOM 501 N SER A 39 4.858 -9.488 -0.302 1.00 54.40 N ATOM 502 CA SER A 39 5.344 -9.436 1.071 1.00 44.24 C ATOM 503 C SER A 39 4.305 -8.747 1.953 1.00 5.24 C ATOM 504 O SER A 39 3.817 -9.337 2.919 1.00 45.43 O ATOM 505 CB SER A 39 6.717 -8.742 1.139 1.00 25.03 C ATOM 506 OG SER A 39 6.710 -7.455 0.560 1.00 64.41 O ATOM 0 H SER A 39 5.511 -9.091 -0.978 1.00 54.40 H new ATOM 0 HA SER A 39 5.487 -10.449 1.446 1.00 44.24 H new ATOM 0 HB2 SER A 39 7.028 -8.665 2.181 1.00 25.03 H new ATOM 0 HB3 SER A 39 7.457 -9.360 0.630 1.00 25.03 H new ATOM 0 HG SER A 39 6.727 -7.536 -0.417 1.00 64.41 H new ATOM 511 N ILE A 40 3.950 -7.517 1.591 1.00 52.35 N ATOM 512 CA ILE A 40 3.007 -6.673 2.297 1.00 41.21 C ATOM 513 C ILE A 40 1.642 -7.354 2.296 1.00 12.43 C ATOM 514 O ILE A 40 1.073 -7.566 3.366 1.00 34.04 O ATOM 515 CB ILE A 40 2.973 -5.285 1.629 1.00 61.44 C ATOM 516 CG1 ILE A 40 4.374 -4.630 1.574 1.00 43.42 C ATOM 517 CG2 ILE A 40 2.000 -4.338 2.348 1.00 10.52 C ATOM 518 CD1 ILE A 40 4.993 -4.598 0.172 1.00 4.13 C ATOM 0 H ILE A 40 4.332 -7.067 0.759 1.00 52.35 H new ATOM 0 HA ILE A 40 3.307 -6.529 3.335 1.00 41.21 H new ATOM 0 HB ILE A 40 2.626 -5.449 0.609 1.00 61.44 H new ATOM 0 HG12 ILE A 40 4.302 -3.610 1.951 1.00 43.42 H new ATOM 0 HG13 ILE A 40 5.043 -5.171 2.243 1.00 43.42 H new ATOM 0 HG21 ILE A 40 2.001 -3.368 1.850 1.00 10.52 H new ATOM 0 HG22 ILE A 40 0.995 -4.759 2.320 1.00 10.52 H new ATOM 0 HG23 ILE A 40 2.312 -4.214 3.385 1.00 10.52 H new ATOM 0 HD11 ILE A 40 5.973 -4.124 0.218 1.00 4.13 H new ATOM 0 HD12 ILE A 40 5.100 -5.616 -0.202 1.00 4.13 H new ATOM 0 HD13 ILE A 40 4.347 -4.031 -0.498 1.00 4.13 H new ATOM 529 N LEU A 41 1.117 -7.690 1.111 1.00 70.13 N ATOM 530 CA LEU A 41 -0.247 -8.197 0.993 1.00 52.40 C ATOM 531 C LEU A 41 -0.428 -9.428 1.868 1.00 12.13 C ATOM 532 O LEU A 41 -1.272 -9.411 2.759 1.00 30.42 O ATOM 533 CB LEU A 41 -0.632 -8.479 -0.463 1.00 70.42 C ATOM 534 CG LEU A 41 -0.829 -7.195 -1.287 1.00 12.23 C ATOM 535 CD1 LEU A 41 -1.089 -7.567 -2.741 1.00 5.35 C ATOM 536 CD2 LEU A 41 -2.014 -6.351 -0.789 1.00 22.13 C ATOM 0 H LEU A 41 1.618 -7.619 0.225 1.00 70.13 H new ATOM 0 HA LEU A 41 -0.925 -7.420 1.347 1.00 52.40 H new ATOM 0 HB2 LEU A 41 0.143 -9.088 -0.928 1.00 70.42 H new ATOM 0 HB3 LEU A 41 -1.552 -9.064 -0.484 1.00 70.42 H new ATOM 0 HG LEU A 41 0.080 -6.603 -1.181 1.00 12.23 H new ATOM 0 HD11 LEU A 41 -1.229 -6.660 -3.329 1.00 5.35 H new ATOM 0 HD12 LEU A 41 -0.238 -8.125 -3.132 1.00 5.35 H new ATOM 0 HD13 LEU A 41 -1.986 -8.183 -2.804 1.00 5.35 H new ATOM 0 HD21 LEU A 41 -2.108 -5.457 -1.405 1.00 22.13 H new ATOM 0 HD22 LEU A 41 -2.931 -6.936 -0.856 1.00 22.13 H new ATOM 0 HD23 LEU A 41 -1.844 -6.061 0.248 1.00 22.13 H new ATOM 547 N GLY A 42 0.392 -10.461 1.679 1.00 32.32 N ATOM 548 CA GLY A 42 0.245 -11.692 2.439 1.00 50.55 C ATOM 549 C GLY A 42 0.525 -11.520 3.933 1.00 30.43 C ATOM 550 O GLY A 42 0.044 -12.329 4.728 1.00 53.45 O ATOM 0 H GLY A 42 1.160 -10.466 1.008 1.00 32.32 H new ATOM 0 HA2 GLY A 42 -0.768 -12.072 2.308 1.00 50.55 H new ATOM 0 HA3 GLY A 42 0.923 -12.444 2.034 1.00 50.55 H new ATOM 554 N ALA A 43 1.274 -10.488 4.343 1.00 10.13 N ATOM 555 CA ALA A 43 1.498 -10.206 5.755 1.00 61.13 C ATOM 556 C ALA A 43 0.228 -9.669 6.413 1.00 5.10 C ATOM 557 O ALA A 43 -0.096 -10.076 7.532 1.00 45.35 O ATOM 558 CB ALA A 43 2.627 -9.187 5.936 1.00 61.31 C ATOM 0 H ALA A 43 1.734 -9.835 3.708 1.00 10.13 H new ATOM 0 HA ALA A 43 1.780 -11.144 6.234 1.00 61.13 H new ATOM 0 HB1 ALA A 43 2.775 -8.993 6.998 1.00 61.31 H new ATOM 0 HB2 ALA A 43 3.547 -9.584 5.508 1.00 61.31 H new ATOM 0 HB3 ALA A 43 2.363 -8.258 5.431 1.00 61.31 H new ATOM 564 N LEU A 44 -0.430 -8.706 5.759 1.00 42.23 N ATOM 565 CA LEU A 44 -1.480 -7.888 6.367 1.00 42.55 C ATOM 566 C LEU A 44 -2.881 -8.342 5.976 1.00 54.12 C ATOM 567 O LEU A 44 -3.836 -7.887 6.602 1.00 12.13 O ATOM 568 CB LEU A 44 -1.295 -6.405 5.986 1.00 25.14 C ATOM 569 CG LEU A 44 -0.156 -5.616 6.675 1.00 51.41 C ATOM 570 CD1 LEU A 44 0.626 -6.358 7.767 1.00 13.14 C ATOM 571 CD2 LEU A 44 0.840 -5.059 5.655 1.00 24.30 C ATOM 0 H LEU A 44 -0.245 -8.472 4.784 1.00 42.23 H new ATOM 0 HA LEU A 44 -1.384 -8.011 7.446 1.00 42.55 H new ATOM 0 HB2 LEU A 44 -1.133 -6.354 4.909 1.00 25.14 H new ATOM 0 HB3 LEU A 44 -2.232 -5.888 6.192 1.00 25.14 H new ATOM 0 HG LEU A 44 -0.695 -4.816 7.183 1.00 51.41 H new ATOM 0 HD11 LEU A 44 1.396 -5.702 8.173 1.00 13.14 H new ATOM 0 HD12 LEU A 44 -0.055 -6.655 8.564 1.00 13.14 H new ATOM 0 HD13 LEU A 44 1.094 -7.245 7.340 1.00 13.14 H new ATOM 0 HD21 LEU A 44 1.626 -4.511 6.175 1.00 24.30 H new ATOM 0 HD22 LEU A 44 1.283 -5.881 5.092 1.00 24.30 H new ATOM 0 HD23 LEU A 44 0.322 -4.388 4.970 1.00 24.30 H new ATOM 582 N ALA A 45 -3.006 -9.231 4.986 1.00 41.43 N ATOM 583 CA ALA A 45 -4.244 -9.706 4.378 1.00 13.22 C ATOM 584 C ALA A 45 -5.427 -9.802 5.360 1.00 10.42 C ATOM 585 O ALA A 45 -6.401 -9.065 5.159 1.00 4.33 O ATOM 586 CB ALA A 45 -3.976 -11.010 3.614 1.00 25.41 C ATOM 0 H ALA A 45 -2.186 -9.665 4.562 1.00 41.43 H new ATOM 0 HA ALA A 45 -4.572 -8.952 3.662 1.00 13.22 H new ATOM 0 HB1 ALA A 45 -4.902 -11.363 3.161 1.00 25.41 H new ATOM 0 HB2 ALA A 45 -3.236 -10.829 2.834 1.00 25.41 H new ATOM 0 HB3 ALA A 45 -3.599 -11.765 4.304 1.00 25.41 H new ATOM 592 N PRO A 46 -5.376 -10.619 6.435 1.00 62.21 N ATOM 593 CA PRO A 46 -6.537 -10.828 7.297 1.00 54.21 C ATOM 594 C PRO A 46 -6.899 -9.633 8.167 1.00 25.22 C ATOM 595 O PRO A 46 -7.985 -9.624 8.752 1.00 1.24 O ATOM 596 CB PRO A 46 -6.186 -12.023 8.192 1.00 64.25 C ATOM 597 CG PRO A 46 -4.660 -12.007 8.223 1.00 45.11 C ATOM 598 CD PRO A 46 -4.304 -11.529 6.821 1.00 72.23 C ATOM 0 HA PRO A 46 -7.411 -10.994 6.668 1.00 54.21 H new ATOM 0 HB2 PRO A 46 -6.609 -11.915 9.191 1.00 64.25 H new ATOM 0 HB3 PRO A 46 -6.570 -12.958 7.783 1.00 64.25 H new ATOM 0 HG2 PRO A 46 -4.277 -11.334 8.990 1.00 45.11 H new ATOM 0 HG3 PRO A 46 -4.248 -12.995 8.431 1.00 45.11 H new ATOM 0 HD2 PRO A 46 -3.338 -11.024 6.812 1.00 72.23 H new ATOM 0 HD3 PRO A 46 -4.232 -12.367 6.127 1.00 72.23 H new ATOM 603 N TYR A 47 -6.007 -8.658 8.284 1.00 74.33 N ATOM 604 CA TYR A 47 -6.115 -7.528 9.187 1.00 65.13 C ATOM 605 C TYR A 47 -6.413 -6.240 8.425 1.00 65.42 C ATOM 606 O TYR A 47 -6.393 -5.157 9.014 1.00 33.21 O ATOM 607 CB TYR A 47 -4.793 -7.387 9.941 1.00 51.33 C ATOM 608 CG TYR A 47 -4.225 -8.662 10.530 1.00 4.43 C ATOM 609 CD1 TYR A 47 -5.056 -9.534 11.260 1.00 72.44 C ATOM 610 CD2 TYR A 47 -2.868 -8.983 10.332 1.00 24.24 C ATOM 611 CE1 TYR A 47 -4.531 -10.716 11.804 1.00 12.54 C ATOM 612 CE2 TYR A 47 -2.329 -10.151 10.899 1.00 63.25 C ATOM 613 CZ TYR A 47 -3.157 -11.008 11.657 1.00 41.11 C ATOM 614 OH TYR A 47 -2.624 -12.116 12.235 1.00 11.51 O ATOM 0 H TYR A 47 -5.153 -8.636 7.727 1.00 74.33 H new ATOM 0 HA TYR A 47 -6.937 -7.702 9.881 1.00 65.13 H new ATOM 0 HB2 TYR A 47 -4.053 -6.963 9.262 1.00 51.33 H new ATOM 0 HB3 TYR A 47 -4.933 -6.668 10.748 1.00 51.33 H new ATOM 0 HD1 TYR A 47 -6.099 -9.292 11.401 1.00 72.44 H new ATOM 0 HD2 TYR A 47 -2.240 -8.330 9.743 1.00 24.24 H new ATOM 0 HE1 TYR A 47 -5.176 -11.401 12.334 1.00 12.54 H new ATOM 0 HE2 TYR A 47 -1.286 -10.392 10.756 1.00 63.25 H new ATOM 0 HH TYR A 47 -1.667 -12.163 12.031 1.00 11.51 H new ATOM 623 N ALA A 48 -6.646 -6.342 7.119 1.00 21.13 N ATOM 624 CA ALA A 48 -6.913 -5.211 6.247 1.00 30.32 C ATOM 625 C ALA A 48 -8.143 -5.525 5.398 1.00 34.43 C ATOM 626 O ALA A 48 -8.731 -6.602 5.528 1.00 74.21 O ATOM 627 CB ALA A 48 -5.660 -4.919 5.414 1.00 14.13 C ATOM 0 H ALA A 48 -6.654 -7.237 6.630 1.00 21.13 H new ATOM 0 HA ALA A 48 -7.136 -4.308 6.815 1.00 30.32 H new ATOM 0 HB1 ALA A 48 -5.850 -4.071 4.756 1.00 14.13 H new ATOM 0 HB2 ALA A 48 -4.828 -4.683 6.078 1.00 14.13 H new ATOM 0 HB3 ALA A 48 -5.409 -5.794 4.815 1.00 14.13 H new ATOM 633 N VAL A 49 -8.564 -4.589 4.551 1.00 64.15 N ATOM 634 CA VAL A 49 -9.539 -4.813 3.502 1.00 65.21 C ATOM 635 C VAL A 49 -9.123 -3.965 2.301 1.00 65.14 C ATOM 636 O VAL A 49 -9.639 -2.875 2.045 1.00 53.44 O ATOM 637 CB VAL A 49 -10.950 -4.634 4.065 1.00 22.10 C ATOM 638 CG1 VAL A 49 -11.248 -3.266 4.669 1.00 34.03 C ATOM 639 CG2 VAL A 49 -11.998 -5.053 3.031 1.00 22.41 C ATOM 0 H VAL A 49 -8.223 -3.628 4.582 1.00 64.15 H new ATOM 0 HA VAL A 49 -9.567 -5.835 3.124 1.00 65.21 H new ATOM 0 HB VAL A 49 -11.006 -5.305 4.922 1.00 22.10 H new ATOM 0 HG11 VAL A 49 -12.274 -3.247 5.038 1.00 34.03 H new ATOM 0 HG12 VAL A 49 -10.562 -3.075 5.494 1.00 34.03 H new ATOM 0 HG13 VAL A 49 -11.122 -2.497 3.907 1.00 34.03 H new ATOM 0 HG21 VAL A 49 -12.996 -4.919 3.449 1.00 22.41 H new ATOM 0 HG22 VAL A 49 -11.893 -4.438 2.137 1.00 22.41 H new ATOM 0 HG23 VAL A 49 -11.852 -6.101 2.769 1.00 22.41 H new ATOM 649 N LEU A 50 -8.071 -4.429 1.630 1.00 63.33 N ATOM 650 CA LEU A 50 -7.382 -3.686 0.584 1.00 41.20 C ATOM 651 C LEU A 50 -6.915 -4.614 -0.523 1.00 43.30 C ATOM 652 O LEU A 50 -7.054 -5.835 -0.432 1.00 25.24 O ATOM 653 CB LEU A 50 -6.242 -2.833 1.173 1.00 22.25 C ATOM 654 CG LEU A 50 -5.129 -3.562 1.948 1.00 43.52 C ATOM 655 CD1 LEU A 50 -4.231 -4.476 1.112 1.00 31.22 C ATOM 656 CD2 LEU A 50 -4.243 -2.496 2.597 1.00 50.24 C ATOM 0 H LEU A 50 -7.668 -5.350 1.803 1.00 63.33 H new ATOM 0 HA LEU A 50 -8.086 -2.990 0.129 1.00 41.20 H new ATOM 0 HB2 LEU A 50 -5.776 -2.284 0.354 1.00 22.25 H new ATOM 0 HB3 LEU A 50 -6.686 -2.094 1.840 1.00 22.25 H new ATOM 0 HG LEU A 50 -5.634 -4.214 2.661 1.00 43.52 H new ATOM 0 HD11 LEU A 50 -3.483 -4.939 1.756 1.00 31.22 H new ATOM 0 HD12 LEU A 50 -4.837 -5.252 0.644 1.00 31.22 H new ATOM 0 HD13 LEU A 50 -3.733 -3.889 0.340 1.00 31.22 H new ATOM 0 HD21 LEU A 50 -3.442 -2.980 3.156 1.00 50.24 H new ATOM 0 HD22 LEU A 50 -3.813 -1.860 1.823 1.00 50.24 H new ATOM 0 HD23 LEU A 50 -4.842 -1.888 3.275 1.00 50.24 H new ATOM 667 N SER A 51 -6.347 -4.021 -1.571 1.00 23.22 N ATOM 668 CA SER A 51 -5.934 -4.714 -2.774 1.00 71.12 C ATOM 669 C SER A 51 -4.598 -4.150 -3.261 1.00 41.14 C ATOM 670 O SER A 51 -4.057 -3.197 -2.692 1.00 4.34 O ATOM 671 CB SER A 51 -7.067 -4.549 -3.797 1.00 2.14 C ATOM 672 OG SER A 51 -7.172 -5.674 -4.638 1.00 64.24 O ATOM 0 H SER A 51 -6.159 -3.019 -1.601 1.00 23.22 H new ATOM 0 HA SER A 51 -5.767 -5.777 -2.602 1.00 71.12 H new ATOM 0 HB2 SER A 51 -8.011 -4.395 -3.274 1.00 2.14 H new ATOM 0 HB3 SER A 51 -6.888 -3.659 -4.400 1.00 2.14 H new ATOM 0 HG SER A 51 -7.903 -5.538 -5.276 1.00 64.24 H new ATOM 677 N SER A 52 -4.063 -4.724 -4.336 1.00 12.44 N ATOM 678 CA SER A 52 -2.775 -4.378 -4.925 1.00 14.42 C ATOM 679 C SER A 52 -2.688 -2.906 -5.352 1.00 43.53 C ATOM 680 O SER A 52 -1.593 -2.346 -5.371 1.00 34.34 O ATOM 681 CB SER A 52 -2.501 -5.349 -6.092 1.00 53.22 C ATOM 682 OG SER A 52 -3.708 -5.717 -6.742 1.00 41.44 O ATOM 0 H SER A 52 -4.536 -5.474 -4.840 1.00 12.44 H new ATOM 0 HA SER A 52 -1.997 -4.488 -4.169 1.00 14.42 H new ATOM 0 HB2 SER A 52 -1.826 -4.881 -6.809 1.00 53.22 H new ATOM 0 HB3 SER A 52 -1.999 -6.241 -5.717 1.00 53.22 H new ATOM 0 HG SER A 52 -3.508 -6.331 -7.479 1.00 41.44 H new ATOM 687 N SER A 53 -3.817 -2.237 -5.598 1.00 31.24 N ATOM 688 CA SER A 53 -3.883 -0.803 -5.856 1.00 1.45 C ATOM 689 C SER A 53 -3.296 0.038 -4.721 1.00 10.22 C ATOM 690 O SER A 53 -2.670 1.072 -4.960 1.00 32.02 O ATOM 691 CB SER A 53 -5.354 -0.436 -6.012 1.00 2.13 C ATOM 692 OG SER A 53 -5.938 -1.124 -7.101 1.00 14.33 O ATOM 0 H SER A 53 -4.730 -2.691 -5.623 1.00 31.24 H new ATOM 0 HA SER A 53 -3.296 -0.592 -6.750 1.00 1.45 H new ATOM 0 HB2 SER A 53 -5.891 -0.678 -5.095 1.00 2.13 H new ATOM 0 HB3 SER A 53 -5.450 0.639 -6.164 1.00 2.13 H new ATOM 0 HG SER A 53 -6.882 -0.872 -7.179 1.00 14.33 H new ATOM 697 N ASN A 54 -3.587 -0.354 -3.482 1.00 43.24 N ATOM 698 CA ASN A 54 -3.244 0.390 -2.277 1.00 62.42 C ATOM 699 C ASN A 54 -1.734 0.396 -2.092 1.00 24.03 C ATOM 700 O ASN A 54 -1.148 1.438 -1.793 1.00 2.11 O ATOM 701 CB ASN A 54 -3.922 -0.248 -1.059 1.00 32.15 C ATOM 702 CG ASN A 54 -5.439 -0.143 -1.137 1.00 30.44 C ATOM 703 OD1 ASN A 54 -6.079 -0.843 -1.921 1.00 34.12 O ATOM 704 ND2 ASN A 54 -6.037 0.734 -0.355 1.00 5.31 N ATOM 0 H ASN A 54 -4.082 -1.224 -3.286 1.00 43.24 H new ATOM 0 HA ASN A 54 -3.595 1.417 -2.376 1.00 62.42 H new ATOM 0 HB2 ASN A 54 -3.633 -1.297 -0.990 1.00 32.15 H new ATOM 0 HB3 ASN A 54 -3.570 0.240 -0.150 1.00 32.15 H new ATOM 0 HD21 ASN A 54 -7.050 0.843 -0.392 1.00 5.31 H new ATOM 0 HD22 ASN A 54 -5.486 1.304 0.287 1.00 5.31 H new ATOM 710 N VAL A 55 -1.132 -0.785 -2.245 1.00 25.22 N ATOM 711 CA VAL A 55 0.259 -1.102 -1.965 1.00 61.01 C ATOM 712 C VAL A 55 1.138 -0.777 -3.178 1.00 30.45 C ATOM 713 O VAL A 55 1.584 -1.642 -3.934 1.00 73.21 O ATOM 714 CB VAL A 55 0.345 -2.548 -1.454 1.00 64.12 C ATOM 715 CG1 VAL A 55 -0.322 -3.544 -2.395 1.00 22.42 C ATOM 716 CG2 VAL A 55 1.795 -2.908 -1.124 1.00 22.35 C ATOM 0 H VAL A 55 -1.643 -1.597 -2.592 1.00 25.22 H new ATOM 0 HA VAL A 55 0.660 -0.476 -1.168 1.00 61.01 H new ATOM 0 HB VAL A 55 -0.227 -2.614 -0.529 1.00 64.12 H new ATOM 0 HG11 VAL A 55 -0.231 -4.550 -1.984 1.00 22.42 H new ATOM 0 HG12 VAL A 55 -1.376 -3.291 -2.505 1.00 22.42 H new ATOM 0 HG13 VAL A 55 0.164 -3.505 -3.370 1.00 22.42 H new ATOM 0 HG21 VAL A 55 1.842 -3.935 -0.763 1.00 22.35 H new ATOM 0 HG22 VAL A 55 2.407 -2.810 -2.021 1.00 22.35 H new ATOM 0 HG23 VAL A 55 2.171 -2.235 -0.353 1.00 22.35 H new ATOM 726 N ARG A 56 1.387 0.505 -3.395 1.00 2.53 N ATOM 727 CA ARG A 56 2.163 0.951 -4.541 1.00 42.33 C ATOM 728 C ARG A 56 3.643 0.700 -4.288 1.00 24.34 C ATOM 729 O ARG A 56 4.291 1.425 -3.528 1.00 2.52 O ATOM 730 CB ARG A 56 1.871 2.411 -4.894 1.00 20.04 C ATOM 731 CG ARG A 56 2.307 2.723 -6.336 1.00 35.05 C ATOM 732 CD ARG A 56 1.297 2.263 -7.410 1.00 75.44 C ATOM 733 NE ARG A 56 1.624 0.972 -8.044 1.00 53.24 N ATOM 734 CZ ARG A 56 0.781 0.228 -8.781 1.00 54.24 C ATOM 735 NH1 ARG A 56 -0.465 0.621 -9.039 1.00 64.11 N ATOM 736 NH2 ARG A 56 1.180 -0.926 -9.289 1.00 24.11 N ATOM 0 H ARG A 56 1.061 1.258 -2.789 1.00 2.53 H new ATOM 0 HA ARG A 56 1.864 0.369 -5.413 1.00 42.33 H new ATOM 0 HB2 ARG A 56 0.806 2.611 -4.780 1.00 20.04 H new ATOM 0 HB3 ARG A 56 2.395 3.069 -4.201 1.00 20.04 H new ATOM 0 HG2 ARG A 56 2.462 3.798 -6.434 1.00 35.05 H new ATOM 0 HG3 ARG A 56 3.268 2.244 -6.526 1.00 35.05 H new ATOM 0 HD2 ARG A 56 0.310 2.190 -6.954 1.00 75.44 H new ATOM 0 HD3 ARG A 56 1.235 3.028 -8.184 1.00 75.44 H new ATOM 0 HE ARG A 56 2.570 0.613 -7.912 1.00 53.24 H new ATOM 0 HH11 ARG A 56 -0.805 1.511 -8.674 1.00 64.11 H new ATOM 0 HH12 ARG A 56 -1.079 0.032 -9.602 1.00 64.11 H new ATOM 0 HH21 ARG A 56 2.131 -1.255 -9.122 1.00 24.11 H new ATOM 0 HH22 ARG A 56 0.537 -1.487 -9.848 1.00 24.11 H new ATOM 747 N VAL A 57 4.196 -0.311 -4.950 1.00 13.52 N ATOM 748 CA VAL A 57 5.631 -0.418 -5.126 1.00 63.31 C ATOM 749 C VAL A 57 6.044 0.762 -6.009 1.00 1.55 C ATOM 750 O VAL A 57 5.560 0.911 -7.136 1.00 11.13 O ATOM 751 CB VAL A 57 5.999 -1.793 -5.714 1.00 22.25 C ATOM 752 CG1 VAL A 57 7.506 -1.914 -5.960 1.00 3.54 C ATOM 753 CG2 VAL A 57 5.577 -2.915 -4.753 1.00 0.53 C ATOM 0 H VAL A 57 3.664 -1.070 -5.374 1.00 13.52 H new ATOM 0 HA VAL A 57 6.173 -0.364 -4.182 1.00 63.31 H new ATOM 0 HB VAL A 57 5.472 -1.887 -6.663 1.00 22.25 H new ATOM 0 HG11 VAL A 57 7.729 -2.897 -6.375 1.00 3.54 H new ATOM 0 HG12 VAL A 57 7.823 -1.143 -6.662 1.00 3.54 H new ATOM 0 HG13 VAL A 57 8.040 -1.788 -5.018 1.00 3.54 H new ATOM 0 HG21 VAL A 57 5.843 -3.881 -5.182 1.00 0.53 H new ATOM 0 HG22 VAL A 57 6.088 -2.788 -3.799 1.00 0.53 H new ATOM 0 HG23 VAL A 57 4.499 -2.873 -4.595 1.00 0.53 H new ATOM 763 N ILE A 58 6.876 1.651 -5.469 1.00 62.14 N ATOM 764 CA ILE A 58 7.572 2.656 -6.265 1.00 0.31 C ATOM 765 C ILE A 58 8.811 1.990 -6.861 1.00 23.45 C ATOM 766 O ILE A 58 9.408 1.110 -6.233 1.00 63.30 O ATOM 767 CB ILE A 58 7.898 3.904 -5.406 1.00 61.34 C ATOM 768 CG1 ILE A 58 6.681 4.409 -4.587 1.00 75.30 C ATOM 769 CG2 ILE A 58 8.448 5.054 -6.269 1.00 54.43 C ATOM 770 CD1 ILE A 58 5.412 4.700 -5.405 1.00 4.35 C ATOM 0 H ILE A 58 7.085 1.694 -4.472 1.00 62.14 H new ATOM 0 HA ILE A 58 6.947 3.023 -7.080 1.00 0.31 H new ATOM 0 HB ILE A 58 8.664 3.583 -4.700 1.00 61.34 H new ATOM 0 HG12 ILE A 58 6.441 3.664 -3.828 1.00 75.30 H new ATOM 0 HG13 ILE A 58 6.971 5.319 -4.061 1.00 75.30 H new ATOM 0 HG21 ILE A 58 8.666 5.913 -5.634 1.00 54.43 H new ATOM 0 HG22 ILE A 58 9.362 4.730 -6.767 1.00 54.43 H new ATOM 0 HG23 ILE A 58 7.706 5.334 -7.017 1.00 54.43 H new ATOM 0 HD11 ILE A 58 4.622 5.047 -4.739 1.00 4.35 H new ATOM 0 HD12 ILE A 58 5.626 5.470 -6.147 1.00 4.35 H new ATOM 0 HD13 ILE A 58 5.088 3.790 -5.910 1.00 4.35 H new ATOM 781 N LYS A 59 9.204 2.402 -8.064 1.00 51.20 N ATOM 782 CA LYS A 59 10.331 1.861 -8.813 1.00 72.31 C ATOM 783 C LYS A 59 11.132 3.034 -9.367 1.00 15.22 C ATOM 784 O LYS A 59 10.649 4.176 -9.358 1.00 71.20 O ATOM 785 CB LYS A 59 9.831 0.944 -9.946 1.00 22.25 C ATOM 786 CG LYS A 59 8.946 -0.226 -9.457 1.00 40.44 C ATOM 787 CD LYS A 59 8.064 -0.900 -10.520 1.00 14.43 C ATOM 788 CE LYS A 59 8.747 -1.068 -11.877 1.00 60.02 C ATOM 789 NZ LYS A 59 7.824 -1.533 -12.934 1.00 0.25 N ATOM 0 H LYS A 59 8.725 3.152 -8.562 1.00 51.20 H new ATOM 0 HA LYS A 59 10.965 1.256 -8.165 1.00 72.31 H new ATOM 0 HB2 LYS A 59 9.265 1.541 -10.661 1.00 22.25 H new ATOM 0 HB3 LYS A 59 10.691 0.539 -10.479 1.00 22.25 H new ATOM 0 HG2 LYS A 59 9.593 -0.985 -9.018 1.00 40.44 H new ATOM 0 HG3 LYS A 59 8.301 0.143 -8.660 1.00 40.44 H new ATOM 0 HD2 LYS A 59 7.757 -1.880 -10.155 1.00 14.43 H new ATOM 0 HD3 LYS A 59 7.157 -0.311 -10.652 1.00 14.43 H new ATOM 0 HE2 LYS A 59 9.185 -0.116 -12.178 1.00 60.02 H new ATOM 0 HE3 LYS A 59 9.567 -1.779 -11.779 1.00 60.02 H new ATOM 0 HZ1 LYS A 59 8.217 -1.296 -13.867 1.00 0.25 H new ATOM 0 HZ2 LYS A 59 7.703 -2.563 -12.861 1.00 0.25 H new ATOM 0 HZ3 LYS A 59 6.901 -1.067 -12.819 1.00 0.25 H new ATOM 799 N ASP A 60 12.342 2.774 -9.854 1.00 41.51 N ATOM 800 CA ASP A 60 13.149 3.784 -10.541 1.00 75.54 C ATOM 801 C ASP A 60 12.509 4.169 -11.884 1.00 41.23 C ATOM 802 O ASP A 60 11.391 3.767 -12.200 1.00 3.54 O ATOM 803 CB ASP A 60 14.595 3.298 -10.706 1.00 31.45 C ATOM 804 CG ASP A 60 15.529 4.501 -10.830 1.00 22.25 C ATOM 805 OD1 ASP A 60 15.853 5.079 -9.767 1.00 73.54 O ATOM 806 OD2 ASP A 60 15.809 4.922 -11.974 1.00 63.54 O ATOM 0 H ASP A 60 12.792 1.861 -9.785 1.00 41.51 H new ATOM 0 HA ASP A 60 13.179 4.686 -9.930 1.00 75.54 H new ATOM 0 HB2 ASP A 60 14.884 2.687 -9.851 1.00 31.45 H new ATOM 0 HB3 ASP A 60 14.679 2.667 -11.591 1.00 31.45 H new ATOM 810 N LYS A 61 13.192 4.978 -12.684 1.00 72.30 N ATOM 811 CA LYS A 61 12.891 5.286 -14.063 1.00 3.03 C ATOM 812 C LYS A 61 13.825 4.496 -14.981 1.00 72.33 C ATOM 813 O LYS A 61 13.361 3.954 -15.982 1.00 3.11 O ATOM 814 CB LYS A 61 13.070 6.801 -14.196 1.00 63.50 C ATOM 815 CG LYS A 61 13.115 7.324 -15.632 1.00 40.44 C ATOM 816 CD LYS A 61 11.868 6.940 -16.423 1.00 4.05 C ATOM 817 CE LYS A 61 11.964 7.590 -17.804 1.00 73.53 C ATOM 818 NZ LYS A 61 11.066 6.957 -18.782 1.00 20.31 N ATOM 0 H LYS A 61 14.026 5.466 -12.357 1.00 72.30 H new ATOM 0 HA LYS A 61 11.878 5.005 -14.352 1.00 3.03 H new ATOM 0 HB2 LYS A 61 12.253 7.295 -13.671 1.00 63.50 H new ATOM 0 HB3 LYS A 61 13.993 7.088 -13.692 1.00 63.50 H new ATOM 0 HG2 LYS A 61 13.215 8.409 -15.619 1.00 40.44 H new ATOM 0 HG3 LYS A 61 13.998 6.928 -16.134 1.00 40.44 H new ATOM 0 HD2 LYS A 61 11.795 5.856 -16.516 1.00 4.05 H new ATOM 0 HD3 LYS A 61 10.970 7.277 -15.905 1.00 4.05 H new ATOM 0 HE2 LYS A 61 11.720 8.649 -17.722 1.00 73.53 H new ATOM 0 HE3 LYS A 61 12.991 7.526 -18.163 1.00 73.53 H new ATOM 0 HZ1 LYS A 61 11.166 7.431 -19.702 1.00 20.31 H new ATOM 0 HZ2 LYS A 61 11.314 5.952 -18.881 1.00 20.31 H new ATOM 0 HZ3 LYS A 61 10.082 7.040 -18.455 1.00 20.31 H new ATOM 828 N GLN A 62 15.127 4.443 -14.678 1.00 13.12 N ATOM 829 CA GLN A 62 16.106 3.799 -15.553 1.00 52.43 C ATOM 830 C GLN A 62 15.911 2.292 -15.596 1.00 21.53 C ATOM 831 O GLN A 62 16.286 1.629 -16.565 1.00 33.11 O ATOM 832 CB GLN A 62 17.532 4.095 -15.090 1.00 15.14 C ATOM 833 CG GLN A 62 17.787 5.598 -14.965 1.00 20.35 C ATOM 834 CD GLN A 62 19.251 6.034 -14.990 1.00 34.22 C ATOM 835 OE1 GLN A 62 19.615 7.007 -14.326 1.00 61.40 O ATOM 836 NE2 GLN A 62 20.121 5.413 -15.771 1.00 42.11 N ATOM 0 H GLN A 62 15.526 4.841 -13.828 1.00 13.12 H new ATOM 0 HA GLN A 62 15.951 4.208 -16.552 1.00 52.43 H new ATOM 0 HB2 GLN A 62 17.709 3.615 -14.128 1.00 15.14 H new ATOM 0 HB3 GLN A 62 18.241 3.663 -15.797 1.00 15.14 H new ATOM 0 HG2 GLN A 62 17.264 6.104 -15.777 1.00 20.35 H new ATOM 0 HG3 GLN A 62 17.341 5.946 -14.033 1.00 20.35 H new ATOM 0 HE21 GLN A 62 19.826 4.607 -16.323 1.00 42.11 H new ATOM 0 HE22 GLN A 62 21.086 5.740 -15.821 1.00 42.11 H new ATOM 843 N THR A 63 15.346 1.746 -14.532 1.00 15.21 N ATOM 844 CA THR A 63 15.156 0.334 -14.299 1.00 63.13 C ATOM 845 C THR A 63 13.710 0.141 -13.862 1.00 0.23 C ATOM 846 O THR A 63 12.909 1.084 -13.824 1.00 20.11 O ATOM 847 CB THR A 63 16.198 -0.130 -13.260 1.00 43.00 C ATOM 848 OG1 THR A 63 16.117 0.656 -12.092 1.00 64.53 O ATOM 849 CG2 THR A 63 17.629 -0.009 -13.776 1.00 24.51 C ATOM 0 H THR A 63 14.988 2.316 -13.765 1.00 15.21 H new ATOM 0 HA THR A 63 15.314 -0.278 -15.187 1.00 63.13 H new ATOM 0 HB THR A 63 15.969 -1.176 -13.056 1.00 43.00 H new ATOM 0 HG1 THR A 63 16.783 0.347 -11.443 1.00 64.53 H new ATOM 0 HG21 THR A 63 18.323 -0.348 -13.007 1.00 24.51 H new ATOM 0 HG22 THR A 63 17.747 -0.624 -14.668 1.00 24.51 H new ATOM 0 HG23 THR A 63 17.840 1.032 -14.022 1.00 24.51 H new ATOM 857 N GLN A 64 13.346 -1.094 -13.562 1.00 24.34 N ATOM 858 CA GLN A 64 12.047 -1.467 -13.034 1.00 31.32 C ATOM 859 C GLN A 64 12.235 -1.976 -11.596 1.00 62.21 C ATOM 860 O GLN A 64 11.435 -2.761 -11.093 1.00 43.33 O ATOM 861 CB GLN A 64 11.390 -2.451 -14.020 1.00 12.12 C ATOM 862 CG GLN A 64 11.177 -1.927 -15.424 1.00 11.55 C ATOM 863 CD GLN A 64 10.270 -0.696 -15.540 1.00 14.14 C ATOM 864 OE1 GLN A 64 9.052 -0.794 -15.408 1.00 52.11 O ATOM 865 NE2 GLN A 64 10.808 0.489 -15.796 1.00 63.44 N ATOM 0 H GLN A 64 13.970 -1.892 -13.684 1.00 24.34 H new ATOM 0 HA GLN A 64 11.353 -0.630 -12.954 1.00 31.32 H new ATOM 0 HB2 GLN A 64 12.007 -3.348 -14.076 1.00 12.12 H new ATOM 0 HB3 GLN A 64 10.425 -2.754 -13.614 1.00 12.12 H new ATOM 0 HG2 GLN A 64 12.149 -1.682 -15.853 1.00 11.55 H new ATOM 0 HG3 GLN A 64 10.753 -2.727 -16.031 1.00 11.55 H new ATOM 0 HE21 GLN A 64 11.818 0.577 -15.907 1.00 63.44 H new ATOM 0 HE22 GLN A 64 10.212 1.312 -15.882 1.00 63.44 H new ATOM 872 N LEU A 65 13.311 -1.520 -10.950 1.00 34.42 N ATOM 873 CA LEU A 65 13.829 -1.932 -9.655 1.00 60.11 C ATOM 874 C LEU A 65 13.357 -0.950 -8.610 1.00 64.10 C ATOM 875 O LEU A 65 13.106 0.222 -8.901 1.00 53.33 O ATOM 876 CB LEU A 65 15.335 -2.012 -9.737 1.00 11.14 C ATOM 877 CG LEU A 65 15.770 -3.238 -10.575 1.00 51.11 C ATOM 878 CD1 LEU A 65 16.946 -3.864 -9.875 1.00 54.31 C ATOM 879 CD2 LEU A 65 14.795 -4.424 -10.678 1.00 22.22 C ATOM 0 H LEU A 65 13.889 -0.788 -11.362 1.00 34.42 H new ATOM 0 HA LEU A 65 13.461 -2.918 -9.372 1.00 60.11 H new ATOM 0 HB2 LEU A 65 15.729 -1.100 -10.185 1.00 11.14 H new ATOM 0 HB3 LEU A 65 15.756 -2.082 -8.734 1.00 11.14 H new ATOM 0 HG LEU A 65 15.911 -2.820 -11.572 1.00 51.11 H new ATOM 0 HD11 LEU A 65 17.283 -4.735 -10.437 1.00 54.31 H new ATOM 0 HD12 LEU A 65 17.757 -3.139 -9.808 1.00 54.31 H new ATOM 0 HD13 LEU A 65 16.651 -4.172 -8.872 1.00 54.31 H new ATOM 0 HD21 LEU A 65 15.237 -5.206 -11.296 1.00 22.22 H new ATOM 0 HD22 LEU A 65 14.595 -4.818 -9.682 1.00 22.22 H new ATOM 0 HD23 LEU A 65 13.861 -4.089 -11.130 1.00 22.22 H new ATOM 890 N ASN A 66 13.186 -1.471 -7.406 1.00 62.21 N ATOM 891 CA ASN A 66 12.539 -0.728 -6.335 1.00 32.43 C ATOM 892 C ASN A 66 13.582 0.096 -5.591 1.00 33.33 C ATOM 893 O ASN A 66 14.682 -0.365 -5.291 1.00 52.53 O ATOM 894 CB ASN A 66 11.778 -1.611 -5.342 1.00 21.45 C ATOM 895 CG ASN A 66 11.022 -2.779 -5.946 1.00 33.44 C ATOM 896 OD1 ASN A 66 10.362 -2.650 -6.968 1.00 35.33 O ATOM 897 ND2 ASN A 66 11.094 -3.928 -5.298 1.00 64.10 N ATOM 0 H ASN A 66 13.487 -2.410 -7.144 1.00 62.21 H new ATOM 0 HA ASN A 66 11.795 -0.086 -6.807 1.00 32.43 H new ATOM 0 HB2 ASN A 66 12.488 -2.000 -4.612 1.00 21.45 H new ATOM 0 HB3 ASN A 66 11.070 -0.986 -4.797 1.00 21.45 H new ATOM 0 HD21 ASN A 66 10.590 -4.743 -5.647 1.00 64.10 H new ATOM 0 HD22 ASN A 66 11.654 -4.000 -4.449 1.00 64.10 H new ATOM 903 N ARG A 67 13.211 1.305 -5.194 1.00 40.31 N ATOM 904 CA ARG A 67 14.069 2.268 -4.516 1.00 13.02 C ATOM 905 C ARG A 67 14.252 1.956 -3.025 1.00 13.24 C ATOM 906 O ARG A 67 14.775 2.813 -2.312 1.00 15.34 O ATOM 907 CB ARG A 67 13.471 3.665 -4.730 1.00 51.31 C ATOM 908 CG ARG A 67 13.532 4.115 -6.196 1.00 43.42 C ATOM 909 CD ARG A 67 12.675 5.365 -6.380 1.00 62.54 C ATOM 910 NE ARG A 67 13.173 6.530 -5.628 1.00 33.22 N ATOM 911 CZ ARG A 67 12.739 7.779 -5.816 1.00 35.52 C ATOM 912 NH1 ARG A 67 12.027 8.102 -6.886 1.00 55.42 N ATOM 913 NH2 ARG A 67 13.011 8.706 -4.915 1.00 15.02 N ATOM 0 H ARG A 67 12.265 1.657 -5.341 1.00 40.31 H new ATOM 0 HA ARG A 67 15.070 2.214 -4.944 1.00 13.02 H new ATOM 0 HB2 ARG A 67 12.433 3.667 -4.396 1.00 51.31 H new ATOM 0 HB3 ARG A 67 14.007 4.384 -4.110 1.00 51.31 H new ATOM 0 HG2 ARG A 67 14.563 4.323 -6.481 1.00 43.42 H new ATOM 0 HG3 ARG A 67 13.175 3.317 -6.848 1.00 43.42 H new ATOM 0 HD2 ARG A 67 12.634 5.616 -7.440 1.00 62.54 H new ATOM 0 HD3 ARG A 67 11.655 5.147 -6.065 1.00 62.54 H new ATOM 0 HE ARG A 67 13.892 6.373 -4.922 1.00 33.22 H new ATOM 0 HH11 ARG A 67 11.802 7.392 -7.582 1.00 55.42 H new ATOM 0 HH12 ARG A 67 11.704 9.061 -7.013 1.00 55.42 H new ATOM 0 HH21 ARG A 67 13.549 8.466 -4.083 1.00 15.02 H new ATOM 0 HH22 ARG A 67 12.683 9.662 -5.052 1.00 15.02 H new ATOM 924 N GLY A 68 13.825 0.790 -2.529 1.00 53.00 N ATOM 925 CA GLY A 68 14.018 0.408 -1.136 1.00 40.23 C ATOM 926 C GLY A 68 12.892 0.892 -0.229 1.00 32.12 C ATOM 927 O GLY A 68 13.049 0.865 0.994 1.00 32.23 O ATOM 0 H GLY A 68 13.337 0.089 -3.086 1.00 53.00 H new ATOM 0 HA2 GLY A 68 14.092 -0.677 -1.069 1.00 40.23 H new ATOM 0 HA3 GLY A 68 14.965 0.814 -0.780 1.00 40.23 H new ATOM 931 N PHE A 69 11.766 1.330 -0.799 1.00 55.41 N ATOM 932 CA PHE A 69 10.557 1.682 -0.064 1.00 2.23 C ATOM 933 C PHE A 69 9.319 1.291 -0.869 1.00 42.31 C ATOM 934 O PHE A 69 9.426 0.847 -2.018 1.00 42.22 O ATOM 935 CB PHE A 69 10.571 3.178 0.292 1.00 32.30 C ATOM 936 CG PHE A 69 10.226 4.141 -0.835 1.00 32.05 C ATOM 937 CD1 PHE A 69 11.169 4.461 -1.829 1.00 34.53 C ATOM 938 CD2 PHE A 69 8.958 4.750 -0.864 1.00 60.31 C ATOM 939 CE1 PHE A 69 10.845 5.384 -2.844 1.00 21.32 C ATOM 940 CE2 PHE A 69 8.640 5.687 -1.862 1.00 2.13 C ATOM 941 CZ PHE A 69 9.581 5.999 -2.857 1.00 34.11 C ATOM 0 H PHE A 69 11.672 1.451 -1.807 1.00 55.41 H new ATOM 0 HA PHE A 69 10.524 1.125 0.872 1.00 2.23 H new ATOM 0 HB2 PHE A 69 9.869 3.342 1.110 1.00 32.30 H new ATOM 0 HB3 PHE A 69 11.562 3.431 0.668 1.00 32.30 H new ATOM 0 HD1 PHE A 69 12.145 3.998 -1.814 1.00 34.53 H new ATOM 0 HD2 PHE A 69 8.224 4.496 -0.114 1.00 60.31 H new ATOM 0 HE1 PHE A 69 11.568 5.619 -3.611 1.00 21.32 H new ATOM 0 HE2 PHE A 69 7.673 6.167 -1.864 1.00 2.13 H new ATOM 0 HZ PHE A 69 9.334 6.710 -3.631 1.00 34.11 H new ATOM 950 N ALA A 70 8.135 1.443 -0.290 1.00 13.34 N ATOM 951 CA ALA A 70 6.856 1.362 -0.987 1.00 12.23 C ATOM 952 C ALA A 70 5.822 2.140 -0.170 1.00 43.30 C ATOM 953 O ALA A 70 6.116 2.563 0.951 1.00 1.24 O ATOM 954 CB ALA A 70 6.462 -0.108 -1.200 1.00 15.34 C ATOM 0 H ALA A 70 8.034 1.632 0.707 1.00 13.34 H new ATOM 0 HA ALA A 70 6.919 1.808 -1.979 1.00 12.23 H new ATOM 0 HB1 ALA A 70 5.506 -0.157 -1.721 1.00 15.34 H new ATOM 0 HB2 ALA A 70 7.226 -0.607 -1.796 1.00 15.34 H new ATOM 0 HB3 ALA A 70 6.374 -0.605 -0.234 1.00 15.34 H new ATOM 960 N PHE A 71 4.630 2.328 -0.731 1.00 71.13 N ATOM 961 CA PHE A 71 3.593 3.232 -0.245 1.00 71.00 C ATOM 962 C PHE A 71 2.293 2.448 -0.049 1.00 74.03 C ATOM 963 O PHE A 71 2.039 1.497 -0.791 1.00 74.24 O ATOM 964 CB PHE A 71 3.399 4.340 -1.300 1.00 44.32 C ATOM 965 CG PHE A 71 3.759 5.752 -0.873 1.00 64.22 C ATOM 966 CD1 PHE A 71 3.383 6.261 0.388 1.00 2.12 C ATOM 967 CD2 PHE A 71 4.442 6.587 -1.779 1.00 42.43 C ATOM 968 CE1 PHE A 71 3.669 7.593 0.726 1.00 62.20 C ATOM 969 CE2 PHE A 71 4.734 7.917 -1.435 1.00 55.42 C ATOM 970 CZ PHE A 71 4.348 8.422 -0.182 1.00 35.23 C ATOM 0 H PHE A 71 4.349 1.831 -1.576 1.00 71.13 H new ATOM 0 HA PHE A 71 3.877 3.676 0.709 1.00 71.00 H new ATOM 0 HB2 PHE A 71 3.996 4.086 -2.176 1.00 44.32 H new ATOM 0 HB3 PHE A 71 2.355 4.334 -1.613 1.00 44.32 H new ATOM 0 HD1 PHE A 71 2.873 5.624 1.096 1.00 2.12 H new ATOM 0 HD2 PHE A 71 4.742 6.203 -2.743 1.00 42.43 H new ATOM 0 HE1 PHE A 71 3.366 7.982 1.687 1.00 62.20 H new ATOM 0 HE2 PHE A 71 5.256 8.553 -2.135 1.00 55.42 H new ATOM 0 HZ PHE A 71 4.573 9.445 0.082 1.00 35.23 H new ATOM 979 N ILE A 72 1.451 2.865 0.899 1.00 1.24 N ATOM 980 CA ILE A 72 0.164 2.258 1.210 1.00 13.52 C ATOM 981 C ILE A 72 -0.839 3.413 1.368 1.00 32.45 C ATOM 982 O ILE A 72 -0.622 4.308 2.189 1.00 12.32 O ATOM 983 CB ILE A 72 0.308 1.373 2.474 1.00 3.24 C ATOM 984 CG1 ILE A 72 1.077 0.062 2.189 1.00 52.14 C ATOM 985 CG2 ILE A 72 -1.070 1.061 3.072 1.00 11.43 C ATOM 986 CD1 ILE A 72 1.364 -0.761 3.455 1.00 3.13 C ATOM 0 H ILE A 72 1.660 3.668 1.493 1.00 1.24 H new ATOM 0 HA ILE A 72 -0.197 1.593 0.425 1.00 13.52 H new ATOM 0 HB ILE A 72 0.893 1.942 3.197 1.00 3.24 H new ATOM 0 HG12 ILE A 72 0.500 -0.546 1.492 1.00 52.14 H new ATOM 0 HG13 ILE A 72 2.020 0.301 1.698 1.00 52.14 H new ATOM 0 HG21 ILE A 72 -0.949 0.439 3.959 1.00 11.43 H new ATOM 0 HG22 ILE A 72 -1.567 1.992 3.347 1.00 11.43 H new ATOM 0 HG23 ILE A 72 -1.674 0.531 2.336 1.00 11.43 H new ATOM 0 HD11 ILE A 72 1.906 -1.667 3.185 1.00 3.13 H new ATOM 0 HD12 ILE A 72 1.967 -0.170 4.144 1.00 3.13 H new ATOM 0 HD13 ILE A 72 0.423 -1.030 3.935 1.00 3.13 H new ATOM 997 N GLN A 73 -1.915 3.416 0.572 1.00 31.04 N ATOM 998 CA GLN A 73 -3.108 4.245 0.782 1.00 1.24 C ATOM 999 C GLN A 73 -4.111 3.436 1.608 1.00 41.13 C ATOM 1000 O GLN A 73 -4.359 2.279 1.268 1.00 63.32 O ATOM 1001 CB GLN A 73 -3.747 4.620 -0.570 1.00 61.02 C ATOM 1002 CG GLN A 73 -3.144 5.898 -1.168 1.00 11.14 C ATOM 1003 CD GLN A 73 -3.572 6.117 -2.618 1.00 41.54 C ATOM 1004 OE1 GLN A 73 -4.523 6.846 -2.908 1.00 42.23 O ATOM 1005 NE2 GLN A 73 -2.870 5.512 -3.562 1.00 14.25 N ATOM 0 H GLN A 73 -1.982 2.826 -0.258 1.00 31.04 H new ATOM 0 HA GLN A 73 -2.831 5.163 1.301 1.00 1.24 H new ATOM 0 HB2 GLN A 73 -3.615 3.797 -1.272 1.00 61.02 H new ATOM 0 HB3 GLN A 73 -4.820 4.756 -0.436 1.00 61.02 H new ATOM 0 HG2 GLN A 73 -3.448 6.756 -0.568 1.00 11.14 H new ATOM 0 HG3 GLN A 73 -2.057 5.843 -1.117 1.00 11.14 H new ATOM 0 HE21 GLN A 73 -2.085 4.911 -3.308 1.00 14.25 H new ATOM 0 HE22 GLN A 73 -3.113 5.646 -4.543 1.00 14.25 H new ATOM 1012 N LEU A 74 -4.697 4.049 2.640 1.00 23.45 N ATOM 1013 CA LEU A 74 -5.733 3.534 3.547 1.00 63.13 C ATOM 1014 C LEU A 74 -6.737 4.679 3.761 1.00 32.32 C ATOM 1015 O LEU A 74 -6.405 5.832 3.473 1.00 72.11 O ATOM 1016 CB LEU A 74 -5.084 3.144 4.901 1.00 74.14 C ATOM 1017 CG LEU A 74 -4.860 1.649 5.209 1.00 44.44 C ATOM 1018 CD1 LEU A 74 -6.114 0.985 5.762 1.00 74.13 C ATOM 1019 CD2 LEU A 74 -4.358 0.841 4.022 1.00 45.11 C ATOM 0 H LEU A 74 -4.437 5.004 2.886 1.00 23.45 H new ATOM 0 HA LEU A 74 -6.224 2.653 3.134 1.00 63.13 H new ATOM 0 HB2 LEU A 74 -4.117 3.643 4.960 1.00 74.14 H new ATOM 0 HB3 LEU A 74 -5.705 3.557 5.697 1.00 74.14 H new ATOM 0 HG LEU A 74 -4.076 1.647 5.966 1.00 44.44 H new ATOM 0 HD11 LEU A 74 -5.910 -0.066 5.964 1.00 74.13 H new ATOM 0 HD12 LEU A 74 -6.411 1.481 6.686 1.00 74.13 H new ATOM 0 HD13 LEU A 74 -6.920 1.064 5.032 1.00 74.13 H new ATOM 0 HD21 LEU A 74 -4.226 -0.199 4.320 1.00 45.11 H new ATOM 0 HD22 LEU A 74 -5.084 0.897 3.211 1.00 45.11 H new ATOM 0 HD23 LEU A 74 -3.404 1.246 3.684 1.00 45.11 H new ATOM 1030 N SER A 75 -7.929 4.407 4.297 1.00 5.33 N ATOM 1031 CA SER A 75 -8.852 5.447 4.771 1.00 64.35 C ATOM 1032 C SER A 75 -8.378 6.004 6.128 1.00 73.24 C ATOM 1033 O SER A 75 -7.484 5.417 6.728 1.00 51.11 O ATOM 1034 CB SER A 75 -10.262 4.859 4.812 1.00 3.42 C ATOM 1035 OG SER A 75 -10.584 4.313 3.543 1.00 23.43 O ATOM 0 H SER A 75 -8.284 3.458 4.416 1.00 5.33 H new ATOM 0 HA SER A 75 -8.867 6.298 4.091 1.00 64.35 H new ATOM 0 HB2 SER A 75 -10.323 4.086 5.578 1.00 3.42 H new ATOM 0 HB3 SER A 75 -10.982 5.632 5.081 1.00 3.42 H new ATOM 0 HG SER A 75 -11.487 3.934 3.570 1.00 23.43 H new ATOM 1040 N THR A 76 -8.900 7.137 6.612 1.00 54.25 N ATOM 1041 CA THR A 76 -8.191 7.940 7.617 1.00 43.25 C ATOM 1042 C THR A 76 -7.998 7.191 8.944 1.00 65.11 C ATOM 1043 O THR A 76 -6.865 7.002 9.394 1.00 13.53 O ATOM 1044 CB THR A 76 -8.888 9.298 7.833 1.00 10.20 C ATOM 1045 OG1 THR A 76 -9.434 9.792 6.625 1.00 42.35 O ATOM 1046 CG2 THR A 76 -7.901 10.350 8.337 1.00 43.52 C ATOM 0 H THR A 76 -9.803 7.517 6.328 1.00 54.25 H new ATOM 0 HA THR A 76 -7.193 8.129 7.222 1.00 43.25 H new ATOM 0 HB THR A 76 -9.675 9.125 8.567 1.00 10.20 H new ATOM 0 HG1 THR A 76 -9.871 10.653 6.792 1.00 42.35 H new ATOM 0 HG21 THR A 76 -8.421 11.297 8.480 1.00 43.52 H new ATOM 0 HG22 THR A 76 -7.474 10.023 9.285 1.00 43.52 H new ATOM 0 HG23 THR A 76 -7.103 10.481 7.606 1.00 43.52 H new ATOM 1054 N ILE A 77 -9.095 6.750 9.567 1.00 53.34 N ATOM 1055 CA ILE A 77 -9.051 6.034 10.842 1.00 61.13 C ATOM 1056 C ILE A 77 -8.271 4.733 10.633 1.00 74.44 C ATOM 1057 O ILE A 77 -7.459 4.330 11.465 1.00 24.12 O ATOM 1058 CB ILE A 77 -10.491 5.778 11.348 1.00 42.54 C ATOM 1059 CG1 ILE A 77 -11.222 7.121 11.594 1.00 65.23 C ATOM 1060 CG2 ILE A 77 -10.472 4.922 12.627 1.00 4.24 C ATOM 1061 CD1 ILE A 77 -12.707 6.971 11.924 1.00 31.44 C ATOM 0 H ILE A 77 -10.038 6.880 9.200 1.00 53.34 H new ATOM 0 HA ILE A 77 -8.545 6.624 11.606 1.00 61.13 H new ATOM 0 HB ILE A 77 -11.036 5.227 10.581 1.00 42.54 H new ATOM 0 HG12 ILE A 77 -10.730 7.646 12.413 1.00 65.23 H new ATOM 0 HG13 ILE A 77 -11.119 7.746 10.707 1.00 65.23 H new ATOM 0 HG21 ILE A 77 -11.494 4.753 12.967 1.00 4.24 H new ATOM 0 HG22 ILE A 77 -9.997 3.964 12.417 1.00 4.24 H new ATOM 0 HG23 ILE A 77 -9.912 5.442 13.404 1.00 4.24 H new ATOM 0 HD11 ILE A 77 -13.146 7.956 12.082 1.00 31.44 H new ATOM 0 HD12 ILE A 77 -13.215 6.476 11.097 1.00 31.44 H new ATOM 0 HD13 ILE A 77 -12.820 6.374 12.829 1.00 31.44 H new ATOM 1072 N GLU A 78 -8.513 4.080 9.500 1.00 50.33 N ATOM 1073 CA GLU A 78 -7.955 2.779 9.200 1.00 23.03 C ATOM 1074 C GLU A 78 -6.435 2.878 9.030 1.00 50.42 C ATOM 1075 O GLU A 78 -5.717 1.996 9.483 1.00 4.34 O ATOM 1076 CB GLU A 78 -8.664 2.201 7.970 1.00 45.44 C ATOM 1077 CG GLU A 78 -10.145 1.961 8.276 1.00 31.14 C ATOM 1078 CD GLU A 78 -10.957 1.664 7.020 1.00 42.52 C ATOM 1079 OE1 GLU A 78 -10.561 0.764 6.247 1.00 74.04 O ATOM 1080 OE2 GLU A 78 -12.039 2.286 6.867 1.00 1.44 O ATOM 0 H GLU A 78 -9.110 4.450 8.760 1.00 50.33 H new ATOM 0 HA GLU A 78 -8.123 2.091 10.028 1.00 23.03 H new ATOM 0 HB2 GLU A 78 -8.566 2.887 7.129 1.00 45.44 H new ATOM 0 HB3 GLU A 78 -8.190 1.265 7.675 1.00 45.44 H new ATOM 0 HG2 GLU A 78 -10.239 1.127 8.972 1.00 31.14 H new ATOM 0 HG3 GLU A 78 -10.558 2.839 8.773 1.00 31.14 H new ATOM 1085 N ALA A 79 -5.925 3.969 8.458 1.00 74.44 N ATOM 1086 CA ALA A 79 -4.495 4.239 8.320 1.00 14.54 C ATOM 1087 C ALA A 79 -3.909 4.331 9.719 1.00 74.41 C ATOM 1088 O ALA A 79 -2.884 3.724 10.035 1.00 23.34 O ATOM 1089 CB ALA A 79 -4.255 5.554 7.552 1.00 51.25 C ATOM 0 H ALA A 79 -6.510 4.708 8.068 1.00 74.44 H new ATOM 0 HA ALA A 79 -4.016 3.440 7.754 1.00 14.54 H new ATOM 0 HB1 ALA A 79 -3.183 5.733 7.462 1.00 51.25 H new ATOM 0 HB2 ALA A 79 -4.695 5.480 6.557 1.00 51.25 H new ATOM 0 HB3 ALA A 79 -4.717 6.380 8.092 1.00 51.25 H new ATOM 1095 N ALA A 80 -4.576 5.120 10.560 1.00 61.23 N ATOM 1096 CA ALA A 80 -4.107 5.402 11.888 1.00 4.24 C ATOM 1097 C ALA A 80 -4.072 4.145 12.766 1.00 45.21 C ATOM 1098 O ALA A 80 -3.198 4.074 13.636 1.00 5.34 O ATOM 1099 CB ALA A 80 -4.984 6.498 12.503 1.00 3.11 C ATOM 0 H ALA A 80 -5.458 5.576 10.325 1.00 61.23 H new ATOM 0 HA ALA A 80 -3.078 5.755 11.830 1.00 4.24 H new ATOM 0 HB1 ALA A 80 -4.636 6.719 13.512 1.00 3.11 H new ATOM 0 HB2 ALA A 80 -4.923 7.399 11.892 1.00 3.11 H new ATOM 0 HB3 ALA A 80 -6.018 6.157 12.543 1.00 3.11 H new ATOM 1105 N GLN A 81 -4.988 3.185 12.590 1.00 10.54 N ATOM 1106 CA GLN A 81 -5.016 1.956 13.385 1.00 44.42 C ATOM 1107 C GLN A 81 -4.091 0.881 12.805 1.00 62.31 C ATOM 1108 O GLN A 81 -3.438 0.179 13.578 1.00 73.35 O ATOM 1109 CB GLN A 81 -6.459 1.445 13.579 1.00 65.42 C ATOM 1110 CG GLN A 81 -7.038 0.667 12.388 1.00 22.33 C ATOM 1111 CD GLN A 81 -8.514 0.296 12.532 1.00 43.14 C ATOM 1112 OE1 GLN A 81 -9.132 0.462 13.586 1.00 65.13 O ATOM 1113 NE2 GLN A 81 -9.126 -0.236 11.484 1.00 24.20 N ATOM 0 H GLN A 81 -5.730 3.240 11.892 1.00 10.54 H new ATOM 0 HA GLN A 81 -4.628 2.196 14.375 1.00 44.42 H new ATOM 0 HB2 GLN A 81 -6.486 0.804 14.460 1.00 65.42 H new ATOM 0 HB3 GLN A 81 -7.106 2.298 13.785 1.00 65.42 H new ATOM 0 HG2 GLN A 81 -6.913 1.264 11.485 1.00 22.33 H new ATOM 0 HG3 GLN A 81 -6.459 -0.246 12.250 1.00 22.33 H new ATOM 0 HE21 GLN A 81 -8.616 -0.374 10.611 1.00 24.20 H new ATOM 0 HE22 GLN A 81 -10.107 -0.508 11.550 1.00 24.20 H new ATOM 1120 N LEU A 82 -4.025 0.742 11.470 1.00 1.52 N ATOM 1121 CA LEU A 82 -3.319 -0.357 10.800 1.00 4.23 C ATOM 1122 C LEU A 82 -1.857 -0.384 11.207 1.00 33.03 C ATOM 1123 O LEU A 82 -1.318 -1.465 11.437 1.00 64.05 O ATOM 1124 CB LEU A 82 -3.428 -0.274 9.260 1.00 25.44 C ATOM 1125 CG LEU A 82 -4.340 -1.331 8.603 1.00 52.13 C ATOM 1126 CD1 LEU A 82 -3.715 -2.726 8.699 1.00 64.32 C ATOM 1127 CD2 LEU A 82 -5.762 -1.379 9.174 1.00 3.31 C ATOM 0 H LEU A 82 -4.465 1.396 10.823 1.00 1.52 H new ATOM 0 HA LEU A 82 -3.803 -1.280 11.119 1.00 4.23 H new ATOM 0 HB2 LEU A 82 -3.796 0.716 8.992 1.00 25.44 H new ATOM 0 HB3 LEU A 82 -2.428 -0.368 8.836 1.00 25.44 H new ATOM 0 HG LEU A 82 -4.427 -1.020 7.562 1.00 52.13 H new ATOM 0 HD11 LEU A 82 -4.376 -3.454 8.229 1.00 64.32 H new ATOM 0 HD12 LEU A 82 -2.751 -2.729 8.189 1.00 64.32 H new ATOM 0 HD13 LEU A 82 -3.572 -2.989 9.747 1.00 64.32 H new ATOM 0 HD21 LEU A 82 -6.336 -2.148 8.657 1.00 3.31 H new ATOM 0 HD22 LEU A 82 -5.719 -1.612 10.238 1.00 3.31 H new ATOM 0 HD23 LEU A 82 -6.243 -0.411 9.034 1.00 3.31 H new ATOM 1138 N LEU A 83 -1.244 0.794 11.354 1.00 30.41 N ATOM 1139 CA LEU A 83 0.133 0.958 11.805 1.00 53.34 C ATOM 1140 C LEU A 83 0.443 0.090 13.028 1.00 64.41 C ATOM 1141 O LEU A 83 1.536 -0.460 13.136 1.00 43.22 O ATOM 1142 CB LEU A 83 0.338 2.438 12.159 1.00 5.52 C ATOM 1143 CG LEU A 83 1.790 2.773 12.544 1.00 2.43 C ATOM 1144 CD1 LEU A 83 2.688 2.813 11.305 1.00 21.02 C ATOM 1145 CD2 LEU A 83 1.810 4.125 13.253 1.00 30.34 C ATOM 0 H LEU A 83 -1.708 1.681 11.156 1.00 30.41 H new ATOM 0 HA LEU A 83 0.807 0.643 11.008 1.00 53.34 H new ATOM 0 HB2 LEU A 83 0.043 3.053 11.308 1.00 5.52 H new ATOM 0 HB3 LEU A 83 -0.321 2.702 12.986 1.00 5.52 H new ATOM 0 HG LEU A 83 2.174 1.999 13.208 1.00 2.43 H new ATOM 0 HD11 LEU A 83 3.709 3.052 11.603 1.00 21.02 H new ATOM 0 HD12 LEU A 83 2.672 1.841 10.812 1.00 21.02 H new ATOM 0 HD13 LEU A 83 2.324 3.575 10.616 1.00 21.02 H new ATOM 0 HD21 LEU A 83 2.834 4.375 13.532 1.00 30.34 H new ATOM 0 HD22 LEU A 83 1.418 4.892 12.585 1.00 30.34 H new ATOM 0 HD23 LEU A 83 1.192 4.075 14.150 1.00 30.34 H new ATOM 1156 N GLN A 84 -0.514 -0.024 13.945 1.00 2.34 N ATOM 1157 CA GLN A 84 -0.344 -0.679 15.229 1.00 65.04 C ATOM 1158 C GLN A 84 -0.397 -2.206 15.099 1.00 22.23 C ATOM 1159 O GLN A 84 0.010 -2.926 16.009 1.00 53.42 O ATOM 1160 CB GLN A 84 -1.439 -0.118 16.153 1.00 10.24 C ATOM 1161 CG GLN A 84 -1.048 -0.106 17.629 1.00 23.03 C ATOM 1162 CD GLN A 84 -2.077 0.662 18.456 1.00 53.22 C ATOM 1163 OE1 GLN A 84 -3.167 0.160 18.726 1.00 41.12 O ATOM 1164 NE2 GLN A 84 -1.782 1.888 18.850 1.00 41.24 N ATOM 0 H GLN A 84 -1.453 0.349 13.807 1.00 2.34 H new ATOM 0 HA GLN A 84 0.640 -0.474 15.650 1.00 65.04 H new ATOM 0 HB2 GLN A 84 -1.680 0.898 15.841 1.00 10.24 H new ATOM 0 HB3 GLN A 84 -2.345 -0.712 16.031 1.00 10.24 H new ATOM 0 HG2 GLN A 84 -0.969 -1.129 17.997 1.00 23.03 H new ATOM 0 HG3 GLN A 84 -0.066 0.352 17.746 1.00 23.03 H new ATOM 0 HE21 GLN A 84 -0.875 2.293 18.620 1.00 41.24 H new ATOM 0 HE22 GLN A 84 -2.462 2.429 19.384 1.00 41.24 H new ATOM 1171 N ILE A 85 -0.881 -2.710 13.963 1.00 21.40 N ATOM 1172 CA ILE A 85 -0.976 -4.126 13.647 1.00 5.13 C ATOM 1173 C ILE A 85 0.299 -4.564 12.920 1.00 3.14 C ATOM 1174 O ILE A 85 0.828 -5.628 13.225 1.00 23.02 O ATOM 1175 CB ILE A 85 -2.242 -4.404 12.812 1.00 64.12 C ATOM 1176 CG1 ILE A 85 -3.504 -3.794 13.469 1.00 62.23 C ATOM 1177 CG2 ILE A 85 -2.396 -5.929 12.644 1.00 31.34 C ATOM 1178 CD1 ILE A 85 -4.795 -4.058 12.691 1.00 43.21 C ATOM 0 H ILE A 85 -1.230 -2.115 13.212 1.00 21.40 H new ATOM 0 HA ILE A 85 -1.064 -4.709 14.564 1.00 5.13 H new ATOM 0 HB ILE A 85 -2.135 -3.932 11.836 1.00 64.12 H new ATOM 0 HG12 ILE A 85 -3.609 -4.198 14.476 1.00 62.23 H new ATOM 0 HG13 ILE A 85 -3.365 -2.718 13.570 1.00 62.23 H new ATOM 0 HG21 ILE A 85 -3.288 -6.142 12.055 1.00 31.34 H new ATOM 0 HG22 ILE A 85 -1.520 -6.329 12.134 1.00 31.34 H new ATOM 0 HG23 ILE A 85 -2.489 -6.396 13.625 1.00 31.34 H new ATOM 0 HD11 ILE A 85 -5.635 -3.600 13.213 1.00 43.21 H new ATOM 0 HD12 ILE A 85 -4.712 -3.630 11.692 1.00 43.21 H new ATOM 0 HD13 ILE A 85 -4.959 -5.133 12.613 1.00 43.21 H new ATOM 1189 N LEU A 86 0.828 -3.735 12.008 1.00 32.02 N ATOM 1190 CA LEU A 86 2.027 -3.978 11.178 1.00 3.43 C ATOM 1191 C LEU A 86 3.286 -4.269 12.020 1.00 10.13 C ATOM 1192 O LEU A 86 4.307 -4.683 11.475 1.00 62.31 O ATOM 1193 CB LEU A 86 2.280 -2.737 10.296 1.00 10.44 C ATOM 1194 CG LEU A 86 1.671 -2.732 8.886 1.00 10.40 C ATOM 1195 CD1 LEU A 86 0.145 -2.687 8.876 1.00 34.31 C ATOM 1196 CD2 LEU A 86 2.155 -1.492 8.134 1.00 71.34 C ATOM 0 H LEU A 86 0.410 -2.825 11.816 1.00 32.02 H new ATOM 0 HA LEU A 86 1.835 -4.862 10.570 1.00 3.43 H new ATOM 0 HB2 LEU A 86 1.903 -1.864 10.828 1.00 10.44 H new ATOM 0 HB3 LEU A 86 3.358 -2.609 10.197 1.00 10.44 H new ATOM 0 HG LEU A 86 1.990 -3.664 8.419 1.00 10.40 H new ATOM 0 HD11 LEU A 86 -0.212 -2.686 7.846 1.00 34.31 H new ATOM 0 HD12 LEU A 86 -0.248 -3.561 9.396 1.00 34.31 H new ATOM 0 HD13 LEU A 86 -0.196 -1.782 9.379 1.00 34.31 H new ATOM 0 HD21 LEU A 86 1.726 -1.483 7.132 1.00 71.34 H new ATOM 0 HD22 LEU A 86 1.842 -0.596 8.670 1.00 71.34 H new ATOM 0 HD23 LEU A 86 3.242 -1.511 8.062 1.00 71.34 H new ATOM 1207 N GLN A 87 3.220 -4.074 13.335 1.00 5.10 N ATOM 1208 CA GLN A 87 4.263 -4.332 14.317 1.00 63.45 C ATOM 1209 C GLN A 87 4.309 -5.804 14.786 1.00 63.22 C ATOM 1210 O GLN A 87 5.150 -6.162 15.619 1.00 5.53 O ATOM 1211 CB GLN A 87 3.999 -3.395 15.499 1.00 65.31 C ATOM 1212 CG GLN A 87 4.078 -1.902 15.134 1.00 51.31 C ATOM 1213 CD GLN A 87 5.492 -1.338 14.993 1.00 11.21 C ATOM 1214 OE1 GLN A 87 6.501 -2.025 15.151 1.00 43.33 O ATOM 1215 NE2 GLN A 87 5.608 -0.057 14.679 1.00 63.43 N ATOM 0 H GLN A 87 2.374 -3.705 13.770 1.00 5.10 H new ATOM 0 HA GLN A 87 5.237 -4.147 13.863 1.00 63.45 H new ATOM 0 HB2 GLN A 87 3.011 -3.609 15.907 1.00 65.31 H new ATOM 0 HB3 GLN A 87 4.722 -3.606 16.287 1.00 65.31 H new ATOM 0 HG2 GLN A 87 3.547 -1.746 14.195 1.00 51.31 H new ATOM 0 HG3 GLN A 87 3.551 -1.330 15.897 1.00 51.31 H new ATOM 0 HE21 GLN A 87 4.773 0.514 14.548 1.00 63.43 H new ATOM 0 HE22 GLN A 87 6.533 0.359 14.568 1.00 63.43 H new ATOM 1222 N ALA A 88 3.398 -6.668 14.317 1.00 31.31 N ATOM 1223 CA ALA A 88 3.112 -7.964 14.935 1.00 54.11 C ATOM 1224 C ALA A 88 3.164 -9.165 13.975 1.00 63.43 C ATOM 1225 O ALA A 88 2.654 -10.230 14.323 1.00 21.31 O ATOM 1226 CB ALA A 88 1.761 -7.855 15.660 1.00 23.10 C ATOM 0 H ALA A 88 2.834 -6.481 13.488 1.00 31.31 H new ATOM 0 HA ALA A 88 3.912 -8.180 15.643 1.00 54.11 H new ATOM 0 HB1 ALA A 88 1.523 -8.809 16.131 1.00 23.10 H new ATOM 0 HB2 ALA A 88 1.819 -7.079 16.423 1.00 23.10 H new ATOM 0 HB3 ALA A 88 0.982 -7.600 14.941 1.00 23.10 H new ATOM 1232 N LEU A 89 3.743 -9.027 12.778 1.00 43.24 N ATOM 1233 CA LEU A 89 3.830 -10.069 11.751 1.00 25.04 C ATOM 1234 C LEU A 89 5.258 -10.235 11.237 1.00 52.23 C ATOM 1235 O LEU A 89 6.120 -9.392 11.509 1.00 70.22 O ATOM 1236 CB LEU A 89 2.914 -9.709 10.571 1.00 73.24 C ATOM 1237 CG LEU A 89 2.883 -8.214 10.185 1.00 22.14 C ATOM 1238 CD1 LEU A 89 1.890 -7.445 11.055 1.00 70.05 C ATOM 1239 CD2 LEU A 89 4.227 -7.497 10.032 1.00 54.53 C ATOM 0 H LEU A 89 4.181 -8.153 12.487 1.00 43.24 H new ATOM 0 HA LEU A 89 3.516 -11.009 12.205 1.00 25.04 H new ATOM 0 HB2 LEU A 89 3.229 -10.285 9.701 1.00 73.24 H new ATOM 0 HB3 LEU A 89 1.899 -10.025 10.812 1.00 73.24 H new ATOM 0 HG LEU A 89 2.528 -8.219 9.155 1.00 22.14 H new ATOM 0 HD11 LEU A 89 1.887 -6.395 10.763 1.00 70.05 H new ATOM 0 HD12 LEU A 89 0.891 -7.861 10.922 1.00 70.05 H new ATOM 0 HD13 LEU A 89 2.182 -7.530 12.102 1.00 70.05 H new ATOM 0 HD21 LEU A 89 4.055 -6.456 9.760 1.00 54.53 H new ATOM 0 HD22 LEU A 89 4.772 -7.540 10.975 1.00 54.53 H new ATOM 0 HD23 LEU A 89 4.813 -7.984 9.252 1.00 54.53 H new ATOM 1250 N HIS A 90 5.489 -11.274 10.424 1.00 54.24 N ATOM 1251 CA HIS A 90 6.716 -11.423 9.651 1.00 45.42 C ATOM 1252 C HIS A 90 6.595 -12.482 8.527 1.00 4.13 C ATOM 1253 O HIS A 90 6.901 -13.649 8.773 1.00 73.03 O ATOM 1254 CB HIS A 90 7.920 -11.730 10.575 1.00 30.13 C ATOM 1255 CG HIS A 90 7.661 -12.745 11.674 1.00 34.11 C ATOM 1256 ND1 HIS A 90 7.431 -12.455 13.000 1.00 34.40 N ATOM 1257 CD2 HIS A 90 7.688 -14.108 11.561 1.00 54.42 C ATOM 1258 CE1 HIS A 90 7.343 -13.612 13.673 1.00 23.00 C ATOM 1259 NE2 HIS A 90 7.475 -14.655 12.831 1.00 63.05 N ATOM 0 H HIS A 90 4.823 -12.035 10.288 1.00 54.24 H new ATOM 0 HA HIS A 90 6.890 -10.466 9.159 1.00 45.42 H new ATOM 0 HB2 HIS A 90 8.745 -12.090 9.960 1.00 30.13 H new ATOM 0 HB3 HIS A 90 8.249 -10.798 11.036 1.00 30.13 H new ATOM 0 HD2 HIS A 90 7.846 -14.665 10.649 1.00 54.42 H new ATOM 0 HE1 HIS A 90 7.188 -13.695 14.739 1.00 23.00 H new ATOM 0 HE2 HIS A 90 7.429 -15.645 13.071 1.00 63.05 H new ATOM 1266 N PRO A 91 6.119 -12.165 7.309 1.00 32.43 N ATOM 1267 CA PRO A 91 5.984 -13.148 6.223 1.00 14.52 C ATOM 1268 C PRO A 91 7.342 -13.749 5.795 1.00 13.13 C ATOM 1269 O PRO A 91 8.393 -13.152 6.054 1.00 23.42 O ATOM 1270 CB PRO A 91 5.360 -12.360 5.065 1.00 32.03 C ATOM 1271 CG PRO A 91 5.961 -10.975 5.278 1.00 31.34 C ATOM 1272 CD PRO A 91 5.867 -10.831 6.798 1.00 70.42 C ATOM 0 HA PRO A 91 5.380 -13.999 6.538 1.00 14.52 H new ATOM 0 HB2 PRO A 91 5.627 -12.778 4.094 1.00 32.03 H new ATOM 0 HB3 PRO A 91 4.271 -12.347 5.118 1.00 32.03 H new ATOM 0 HG2 PRO A 91 6.990 -10.916 4.923 1.00 31.34 H new ATOM 0 HG3 PRO A 91 5.399 -10.200 4.757 1.00 31.34 H new ATOM 0 HD2 PRO A 91 6.600 -10.117 7.175 1.00 70.42 H new ATOM 0 HD3 PRO A 91 4.885 -10.469 7.102 1.00 70.42 H new ATOM 1277 N PRO A 92 7.348 -14.873 5.053 1.00 22.24 N ATOM 1278 CA PRO A 92 8.573 -15.511 4.566 1.00 41.42 C ATOM 1279 C PRO A 92 9.180 -14.819 3.336 1.00 51.41 C ATOM 1280 O PRO A 92 10.220 -15.251 2.842 1.00 10.10 O ATOM 1281 CB PRO A 92 8.160 -16.951 4.251 1.00 24.03 C ATOM 1282 CG PRO A 92 6.720 -16.788 3.774 1.00 50.34 C ATOM 1283 CD PRO A 92 6.185 -15.670 4.669 1.00 61.13 C ATOM 0 HA PRO A 92 9.363 -15.450 5.315 1.00 41.42 H new ATOM 0 HB2 PRO A 92 8.793 -17.396 3.483 1.00 24.03 H new ATOM 0 HB3 PRO A 92 8.226 -17.593 5.130 1.00 24.03 H new ATOM 0 HG2 PRO A 92 6.673 -16.518 2.719 1.00 50.34 H new ATOM 0 HG3 PRO A 92 6.149 -17.709 3.893 1.00 50.34 H new ATOM 0 HD2 PRO A 92 5.453 -15.062 4.138 1.00 61.13 H new ATOM 0 HD3 PRO A 92 5.684 -16.078 5.547 1.00 61.13 H new ATOM 1288 N LEU A 93 8.555 -13.751 2.832 1.00 24.42 N ATOM 1289 CA LEU A 93 8.862 -13.067 1.570 1.00 25.14 C ATOM 1290 C LEU A 93 10.139 -12.198 1.641 1.00 12.50 C ATOM 1291 O LEU A 93 10.277 -11.187 0.943 1.00 74.14 O ATOM 1292 CB LEU A 93 7.605 -12.269 1.163 1.00 32.11 C ATOM 1293 CG LEU A 93 7.214 -12.323 -0.328 1.00 13.14 C ATOM 1294 CD1 LEU A 93 8.235 -11.694 -1.277 1.00 31.40 C ATOM 1295 CD2 LEU A 93 6.887 -13.755 -0.762 1.00 23.13 C ATOM 0 H LEU A 93 7.775 -13.314 3.322 1.00 24.42 H new ATOM 0 HA LEU A 93 9.099 -13.802 0.801 1.00 25.14 H new ATOM 0 HB2 LEU A 93 6.763 -12.634 1.751 1.00 32.11 H new ATOM 0 HB3 LEU A 93 7.758 -11.226 1.439 1.00 32.11 H new ATOM 0 HG LEU A 93 6.319 -11.705 -0.407 1.00 13.14 H new ATOM 0 HD11 LEU A 93 7.877 -11.777 -2.303 1.00 31.40 H new ATOM 0 HD12 LEU A 93 8.368 -10.642 -1.023 1.00 31.40 H new ATOM 0 HD13 LEU A 93 9.189 -12.213 -1.182 1.00 31.40 H new ATOM 0 HD21 LEU A 93 6.615 -13.762 -1.817 1.00 23.13 H new ATOM 0 HD22 LEU A 93 7.759 -14.390 -0.608 1.00 23.13 H new ATOM 0 HD23 LEU A 93 6.054 -14.133 -0.170 1.00 23.13 H new ATOM 1306 N THR A 94 11.061 -12.542 2.531 1.00 45.14 N ATOM 1307 CA THR A 94 12.371 -11.939 2.660 1.00 24.33 C ATOM 1308 C THR A 94 13.231 -12.322 1.449 1.00 4.33 C ATOM 1309 O THR A 94 13.503 -13.498 1.205 1.00 14.54 O ATOM 1310 CB THR A 94 12.968 -12.369 4.005 1.00 23.43 C ATOM 1311 OG1 THR A 94 12.116 -11.924 5.052 1.00 43.54 O ATOM 1312 CG2 THR A 94 14.393 -11.881 4.196 1.00 31.42 C ATOM 0 H THR A 94 10.903 -13.285 3.212 1.00 45.14 H new ATOM 0 HA THR A 94 12.319 -10.850 2.661 1.00 24.33 H new ATOM 0 HB THR A 94 13.028 -13.457 4.023 1.00 23.43 H new ATOM 0 HG1 THR A 94 12.490 -12.196 5.916 1.00 43.54 H new ATOM 0 HG21 THR A 94 14.765 -12.214 5.165 1.00 31.42 H new ATOM 0 HG22 THR A 94 15.025 -12.286 3.406 1.00 31.42 H new ATOM 0 HG23 THR A 94 14.413 -10.792 4.155 1.00 31.42 H new ATOM 1320 N ILE A 95 13.673 -11.304 0.717 1.00 22.41 N ATOM 1321 CA ILE A 95 14.800 -11.339 -0.214 1.00 62.45 C ATOM 1322 C ILE A 95 16.008 -10.790 0.561 1.00 62.11 C ATOM 1323 O ILE A 95 15.805 -9.990 1.469 1.00 33.10 O ATOM 1324 CB ILE A 95 14.439 -10.506 -1.477 1.00 43.41 C ATOM 1325 CG1 ILE A 95 15.509 -10.566 -2.587 1.00 61.41 C ATOM 1326 CG2 ILE A 95 14.156 -9.021 -1.167 1.00 21.04 C ATOM 1327 CD1 ILE A 95 15.709 -11.966 -3.176 1.00 51.24 C ATOM 0 H ILE A 95 13.233 -10.385 0.758 1.00 22.41 H new ATOM 0 HA ILE A 95 15.037 -12.340 -0.573 1.00 62.45 H new ATOM 0 HB ILE A 95 13.527 -10.982 -1.837 1.00 43.41 H new ATOM 0 HG12 ILE A 95 15.228 -9.882 -3.387 1.00 61.41 H new ATOM 0 HG13 ILE A 95 16.458 -10.212 -2.184 1.00 61.41 H new ATOM 0 HG21 ILE A 95 13.911 -8.497 -2.091 1.00 21.04 H new ATOM 0 HG22 ILE A 95 13.318 -8.947 -0.474 1.00 21.04 H new ATOM 0 HG23 ILE A 95 15.040 -8.569 -0.717 1.00 21.04 H new ATOM 0 HD11 ILE A 95 16.476 -11.929 -3.950 1.00 51.24 H new ATOM 0 HD12 ILE A 95 16.021 -12.651 -2.388 1.00 51.24 H new ATOM 0 HD13 ILE A 95 14.772 -12.315 -3.610 1.00 51.24 H new ATOM 1338 N ASP A 96 17.251 -11.185 0.249 1.00 75.31 N ATOM 1339 CA ASP A 96 18.506 -10.624 0.804 1.00 31.22 C ATOM 1340 C ASP A 96 18.653 -10.737 2.334 1.00 11.10 C ATOM 1341 O ASP A 96 19.616 -10.227 2.915 1.00 1.22 O ATOM 1342 CB ASP A 96 18.701 -9.163 0.348 1.00 63.05 C ATOM 1343 CG ASP A 96 19.356 -9.046 -1.016 1.00 32.44 C ATOM 1344 OD1 ASP A 96 20.607 -9.048 -1.069 1.00 44.35 O ATOM 1345 OD2 ASP A 96 18.608 -8.809 -1.991 1.00 35.33 O ATOM 0 H ASP A 96 17.424 -11.933 -0.423 1.00 75.31 H new ATOM 0 HA ASP A 96 19.298 -11.252 0.395 1.00 31.22 H new ATOM 0 HB2 ASP A 96 17.732 -8.664 0.323 1.00 63.05 H new ATOM 0 HB3 ASP A 96 19.311 -8.638 1.083 1.00 63.05 H new ATOM 1349 N GLY A 97 17.717 -11.386 3.026 1.00 0.23 N ATOM 1350 CA GLY A 97 17.621 -11.326 4.484 1.00 44.14 C ATOM 1351 C GLY A 97 16.994 -10.009 4.966 1.00 40.53 C ATOM 1352 O GLY A 97 17.110 -9.667 6.142 1.00 15.44 O ATOM 0 H GLY A 97 17.003 -11.969 2.590 1.00 0.23 H new ATOM 0 HA2 GLY A 97 17.024 -12.164 4.843 1.00 44.14 H new ATOM 0 HA3 GLY A 97 18.615 -11.434 4.918 1.00 44.14 H new ATOM 1356 N LYS A 98 16.381 -9.233 4.069 1.00 41.11 N ATOM 1357 CA LYS A 98 15.817 -7.926 4.360 1.00 72.42 C ATOM 1358 C LYS A 98 14.495 -8.085 5.059 1.00 51.54 C ATOM 1359 O LYS A 98 13.725 -9.005 4.791 1.00 4.14 O ATOM 1360 CB LYS A 98 15.597 -7.115 3.079 1.00 75.45 C ATOM 1361 CG LYS A 98 16.912 -6.563 2.528 1.00 64.11 C ATOM 1362 CD LYS A 98 17.465 -5.389 3.358 1.00 12.33 C ATOM 1363 CE LYS A 98 17.426 -4.079 2.570 1.00 63.02 C ATOM 1364 NZ LYS A 98 18.641 -3.882 1.764 1.00 64.55 N ATOM 0 H LYS A 98 16.263 -9.510 3.095 1.00 41.11 H new ATOM 0 HA LYS A 98 16.524 -7.395 4.997 1.00 72.42 H new ATOM 0 HB2 LYS A 98 15.123 -7.745 2.326 1.00 75.45 H new ATOM 0 HB3 LYS A 98 14.913 -6.291 3.283 1.00 75.45 H new ATOM 0 HG2 LYS A 98 17.652 -7.362 2.501 1.00 64.11 H new ATOM 0 HG3 LYS A 98 16.760 -6.234 1.500 1.00 64.11 H new ATOM 0 HD2 LYS A 98 16.882 -5.282 4.273 1.00 12.33 H new ATOM 0 HD3 LYS A 98 18.491 -5.605 3.657 1.00 12.33 H new ATOM 0 HE2 LYS A 98 16.553 -4.075 1.917 1.00 63.02 H new ATOM 0 HE3 LYS A 98 17.310 -3.244 3.261 1.00 63.02 H new ATOM 0 HZ1 LYS A 98 19.161 -3.054 2.117 1.00 64.55 H new ATOM 0 HZ2 LYS A 98 19.245 -4.726 1.834 1.00 64.55 H new ATOM 0 HZ3 LYS A 98 18.377 -3.727 0.770 1.00 64.55 H new ATOM 1374 N THR A 99 14.181 -7.112 5.887 1.00 54.23 N ATOM 1375 CA THR A 99 13.032 -7.188 6.766 1.00 44.21 C ATOM 1376 C THR A 99 12.318 -5.850 6.725 1.00 4.31 C ATOM 1377 O THR A 99 12.915 -4.807 6.998 1.00 75.12 O ATOM 1378 CB THR A 99 13.466 -7.647 8.165 1.00 64.14 C ATOM 1379 OG1 THR A 99 14.664 -7.018 8.580 1.00 52.42 O ATOM 1380 CG2 THR A 99 13.670 -9.165 8.186 1.00 3.34 C ATOM 0 H THR A 99 14.714 -6.246 5.970 1.00 54.23 H new ATOM 0 HA THR A 99 12.315 -7.940 6.437 1.00 44.21 H new ATOM 0 HB THR A 99 12.671 -7.365 8.855 1.00 64.14 H new ATOM 0 HG1 THR A 99 14.907 -7.335 9.475 1.00 52.42 H new ATOM 0 HG21 THR A 99 13.978 -9.477 9.184 1.00 3.34 H new ATOM 0 HG22 THR A 99 12.736 -9.661 7.922 1.00 3.34 H new ATOM 0 HG23 THR A 99 14.442 -9.438 7.466 1.00 3.34 H new ATOM 1388 N ILE A 100 11.064 -5.886 6.282 1.00 24.04 N ATOM 1389 CA ILE A 100 10.230 -4.721 6.028 1.00 2.44 C ATOM 1390 C ILE A 100 10.044 -3.946 7.343 1.00 50.12 C ATOM 1391 O ILE A 100 10.131 -4.530 8.431 1.00 14.14 O ATOM 1392 CB ILE A 100 8.878 -5.193 5.432 1.00 1.13 C ATOM 1393 CG1 ILE A 100 8.989 -6.271 4.322 1.00 5.24 C ATOM 1394 CG2 ILE A 100 8.037 -4.025 4.902 1.00 62.22 C ATOM 1395 CD1 ILE A 100 9.682 -5.822 3.034 1.00 30.00 C ATOM 0 H ILE A 100 10.585 -6.764 6.083 1.00 24.04 H new ATOM 0 HA ILE A 100 10.698 -4.050 5.308 1.00 2.44 H new ATOM 0 HB ILE A 100 8.382 -5.659 6.283 1.00 1.13 H new ATOM 0 HG12 ILE A 100 9.529 -7.128 4.725 1.00 5.24 H new ATOM 0 HG13 ILE A 100 7.985 -6.615 4.073 1.00 5.24 H new ATOM 0 HG21 ILE A 100 7.100 -4.406 4.495 1.00 62.22 H new ATOM 0 HG22 ILE A 100 7.824 -3.332 5.716 1.00 62.22 H new ATOM 0 HG23 ILE A 100 8.588 -3.506 4.118 1.00 62.22 H new ATOM 0 HD11 ILE A 100 9.706 -6.650 2.326 1.00 30.00 H new ATOM 0 HD12 ILE A 100 9.133 -4.987 2.598 1.00 30.00 H new ATOM 0 HD13 ILE A 100 10.701 -5.508 3.260 1.00 30.00 H new ATOM 1406 N ASN A 101 9.743 -2.645 7.255 1.00 3.10 N ATOM 1407 CA ASN A 101 9.432 -1.809 8.410 1.00 33.04 C ATOM 1408 C ASN A 101 8.067 -1.136 8.310 1.00 51.15 C ATOM 1409 O ASN A 101 7.386 -1.198 7.282 1.00 51.55 O ATOM 1410 CB ASN A 101 10.542 -0.784 8.705 1.00 20.43 C ATOM 1411 CG ASN A 101 10.910 -0.903 10.179 1.00 31.02 C ATOM 1412 OD1 ASN A 101 10.069 -0.717 11.059 1.00 61.21 O ATOM 1413 ND2 ASN A 101 12.120 -1.313 10.483 1.00 24.42 N ATOM 0 H ASN A 101 9.709 -2.142 6.368 1.00 3.10 H new ATOM 0 HA ASN A 101 9.382 -2.491 9.259 1.00 33.04 H new ATOM 0 HB2 ASN A 101 11.413 -0.974 8.078 1.00 20.43 H new ATOM 0 HB3 ASN A 101 10.199 0.225 8.478 1.00 20.43 H new ATOM 0 HD21 ASN A 101 12.372 -1.481 11.457 1.00 24.42 H new ATOM 0 HD22 ASN A 101 12.808 -1.464 9.745 1.00 24.42 H new ATOM 1419 N VAL A 102 7.700 -0.484 9.409 1.00 62.13 N ATOM 1420 CA VAL A 102 6.395 0.027 9.762 1.00 32.31 C ATOM 1421 C VAL A 102 6.603 1.417 10.361 1.00 50.13 C ATOM 1422 O VAL A 102 7.337 1.579 11.334 1.00 50.12 O ATOM 1423 CB VAL A 102 5.686 -1.011 10.661 1.00 13.21 C ATOM 1424 CG1 VAL A 102 6.553 -1.629 11.769 1.00 2.50 C ATOM 1425 CG2 VAL A 102 4.425 -0.412 11.296 1.00 34.30 C ATOM 0 H VAL A 102 8.382 -0.285 10.141 1.00 62.13 H new ATOM 0 HA VAL A 102 5.722 0.161 8.915 1.00 32.31 H new ATOM 0 HB VAL A 102 5.439 -1.824 9.979 1.00 13.21 H new ATOM 0 HG11 VAL A 102 5.959 -2.343 12.340 1.00 2.50 H new ATOM 0 HG12 VAL A 102 7.405 -2.141 11.321 1.00 2.50 H new ATOM 0 HG13 VAL A 102 6.911 -0.842 12.433 1.00 2.50 H new ATOM 0 HG21 VAL A 102 3.943 -1.161 11.924 1.00 34.30 H new ATOM 0 HG22 VAL A 102 4.698 0.450 11.904 1.00 34.30 H new ATOM 0 HG23 VAL A 102 3.736 -0.099 10.511 1.00 34.30 H new ATOM 1435 N GLU A 103 6.029 2.435 9.717 1.00 30.24 N ATOM 1436 CA GLU A 103 6.144 3.845 10.077 1.00 23.32 C ATOM 1437 C GLU A 103 4.950 4.576 9.438 1.00 33.42 C ATOM 1438 O GLU A 103 4.300 4.003 8.559 1.00 22.42 O ATOM 1439 CB GLU A 103 7.494 4.348 9.533 1.00 73.04 C ATOM 1440 CG GLU A 103 7.911 5.706 10.103 1.00 14.20 C ATOM 1441 CD GLU A 103 9.301 6.137 9.653 1.00 72.14 C ATOM 1442 OE1 GLU A 103 10.196 5.291 9.471 1.00 32.34 O ATOM 1443 OE2 GLU A 103 9.493 7.359 9.434 1.00 24.21 O ATOM 0 H GLU A 103 5.445 2.290 8.893 1.00 30.24 H new ATOM 0 HA GLU A 103 6.121 4.019 11.153 1.00 23.32 H new ATOM 0 HB2 GLU A 103 8.266 3.614 9.762 1.00 73.04 H new ATOM 0 HB3 GLU A 103 7.435 4.421 8.447 1.00 73.04 H new ATOM 0 HG2 GLU A 103 7.186 6.460 9.798 1.00 14.20 H new ATOM 0 HG3 GLU A 103 7.885 5.661 11.192 1.00 14.20 H new ATOM 1448 N PHE A 104 4.667 5.839 9.776 1.00 12.32 N ATOM 1449 CA PHE A 104 3.490 6.595 9.312 1.00 40.15 C ATOM 1450 C PHE A 104 3.932 7.921 8.662 1.00 4.40 C ATOM 1451 O PHE A 104 4.814 8.593 9.193 1.00 20.24 O ATOM 1452 CB PHE A 104 2.591 6.761 10.527 1.00 23.12 C ATOM 1453 CG PHE A 104 1.213 7.344 10.318 1.00 24.12 C ATOM 1454 CD1 PHE A 104 0.123 6.502 10.013 1.00 62.25 C ATOM 1455 CD2 PHE A 104 0.986 8.703 10.608 1.00 24.42 C ATOM 1456 CE1 PHE A 104 -1.179 7.020 10.008 1.00 14.22 C ATOM 1457 CE2 PHE A 104 -0.328 9.204 10.639 1.00 62.13 C ATOM 1458 CZ PHE A 104 -1.411 8.365 10.335 1.00 25.04 C ATOM 0 H PHE A 104 5.266 6.382 10.398 1.00 12.32 H new ATOM 0 HA PHE A 104 2.932 6.080 8.530 1.00 40.15 H new ATOM 0 HB2 PHE A 104 2.472 5.781 10.990 1.00 23.12 H new ATOM 0 HB3 PHE A 104 3.114 7.392 11.246 1.00 23.12 H new ATOM 0 HD1 PHE A 104 0.292 5.460 9.784 1.00 62.25 H new ATOM 0 HD2 PHE A 104 1.820 9.360 10.806 1.00 24.42 H new ATOM 0 HE1 PHE A 104 -2.010 6.380 9.751 1.00 14.22 H new ATOM 0 HE2 PHE A 104 -0.504 10.238 10.898 1.00 62.13 H new ATOM 0 HZ PHE A 104 -2.419 8.753 10.353 1.00 25.04 H new ATOM 1467 N ALA A 105 3.389 8.253 7.483 1.00 14.34 N ATOM 1468 CA ALA A 105 3.902 9.251 6.540 1.00 15.52 C ATOM 1469 C ALA A 105 2.779 10.221 6.168 1.00 15.10 C ATOM 1470 O ALA A 105 2.478 10.459 4.993 1.00 64.32 O ATOM 1471 CB ALA A 105 4.497 8.570 5.297 1.00 44.35 C ATOM 0 H ALA A 105 2.535 7.808 7.145 1.00 14.34 H new ATOM 0 HA ALA A 105 4.706 9.816 7.011 1.00 15.52 H new ATOM 0 HB1 ALA A 105 4.872 9.329 4.611 1.00 44.35 H new ATOM 0 HB2 ALA A 105 5.316 7.916 5.597 1.00 44.35 H new ATOM 0 HB3 ALA A 105 3.726 7.981 4.801 1.00 44.35 H new ATOM 1477 N LYS A 106 2.110 10.751 7.187 1.00 55.23 N ATOM 1478 CA LYS A 106 1.062 11.756 7.036 1.00 20.23 C ATOM 1479 C LYS A 106 1.600 13.099 6.508 1.00 3.12 C ATOM 1480 O LYS A 106 2.788 13.232 6.200 1.00 52.23 O ATOM 1481 CB LYS A 106 0.289 11.851 8.331 1.00 11.54 C ATOM 1482 CG LYS A 106 1.089 12.460 9.482 1.00 62.25 C ATOM 1483 CD LYS A 106 0.085 13.258 10.282 1.00 15.41 C ATOM 1484 CE LYS A 106 0.725 13.842 11.542 1.00 63.44 C ATOM 1485 NZ LYS A 106 -0.207 14.721 12.272 1.00 40.25 N ATOM 0 H LYS A 106 2.283 10.490 8.158 1.00 55.23 H new ATOM 0 HA LYS A 106 0.363 11.446 6.259 1.00 20.23 H new ATOM 0 HB2 LYS A 106 -0.606 12.450 8.166 1.00 11.54 H new ATOM 0 HB3 LYS A 106 -0.043 10.854 8.619 1.00 11.54 H new ATOM 0 HG2 LYS A 106 1.553 11.685 10.093 1.00 62.25 H new ATOM 0 HG3 LYS A 106 1.892 13.097 9.110 1.00 62.25 H new ATOM 0 HD2 LYS A 106 -0.317 14.064 9.667 1.00 15.41 H new ATOM 0 HD3 LYS A 106 -0.754 12.620 10.559 1.00 15.41 H new ATOM 0 HE2 LYS A 106 1.047 13.031 12.195 1.00 63.44 H new ATOM 0 HE3 LYS A 106 1.617 14.405 11.269 1.00 63.44 H new ATOM 0 HZ1 LYS A 106 0.263 15.098 13.120 1.00 40.25 H new ATOM 0 HZ2 LYS A 106 -0.495 15.509 11.657 1.00 40.25 H new ATOM 0 HZ3 LYS A 106 -1.047 14.177 12.555 1.00 40.25 H new ATOM 1495 N GLY A 107 0.728 14.105 6.420 1.00 0.32 N ATOM 1496 CA GLY A 107 1.070 15.468 6.024 1.00 4.01 C ATOM 1497 C GLY A 107 1.003 15.643 4.506 1.00 61.23 C ATOM 1498 O GLY A 107 0.989 14.666 3.754 1.00 22.11 O ATOM 0 H GLY A 107 -0.264 13.988 6.629 1.00 0.32 H new ATOM 0 HA2 GLY A 107 0.387 16.170 6.503 1.00 4.01 H new ATOM 0 HA3 GLY A 107 2.073 15.709 6.375 1.00 4.01 H new ATOM 1502 N SER A 108 0.967 16.890 4.039 1.00 35.53 N ATOM 1503 CA SER A 108 1.255 17.271 2.655 1.00 74.32 C ATOM 1504 C SER A 108 1.680 18.746 2.613 1.00 21.51 C ATOM 1505 O SER A 108 1.862 19.372 3.655 1.00 44.23 O ATOM 1506 CB SER A 108 0.053 17.001 1.736 1.00 4.12 C ATOM 1507 OG SER A 108 0.515 16.756 0.423 1.00 21.13 O ATOM 0 H SER A 108 0.730 17.687 4.629 1.00 35.53 H new ATOM 0 HA SER A 108 2.075 16.658 2.281 1.00 74.32 H new ATOM 0 HB2 SER A 108 -0.513 16.144 2.101 1.00 4.12 H new ATOM 0 HB3 SER A 108 -0.624 17.856 1.742 1.00 4.12 H new ATOM 0 HG SER A 108 -0.249 16.582 -0.165 1.00 21.13 H new ATOM 1512 N LYS A 109 1.930 19.306 1.424 1.00 61.51 N ATOM 1513 CA LYS A 109 2.354 20.700 1.236 1.00 22.43 C ATOM 1514 C LYS A 109 1.140 21.503 0.766 1.00 62.23 C ATOM 1515 O LYS A 109 0.803 21.445 -0.422 1.00 34.11 O ATOM 1516 CB LYS A 109 3.540 20.748 0.248 1.00 44.24 C ATOM 1517 CG LYS A 109 4.162 22.152 0.120 1.00 21.23 C ATOM 1518 CD LYS A 109 5.223 22.250 -0.989 1.00 73.51 C ATOM 1519 CE LYS A 109 6.440 21.336 -0.788 1.00 11.34 C ATOM 1520 NZ LYS A 109 7.400 21.453 -1.909 1.00 24.43 N ATOM 0 H LYS A 109 1.842 18.793 0.547 1.00 61.51 H new ATOM 0 HA LYS A 109 2.710 21.145 2.165 1.00 22.43 H new ATOM 0 HB2 LYS A 109 4.307 20.046 0.575 1.00 44.24 H new ATOM 0 HB3 LYS A 109 3.202 20.416 -0.733 1.00 44.24 H new ATOM 0 HG2 LYS A 109 3.371 22.875 -0.079 1.00 21.23 H new ATOM 0 HG3 LYS A 109 4.615 22.429 1.072 1.00 21.23 H new ATOM 0 HD2 LYS A 109 4.756 22.007 -1.944 1.00 73.51 H new ATOM 0 HD3 LYS A 109 5.567 23.282 -1.055 1.00 73.51 H new ATOM 0 HE2 LYS A 109 6.938 21.593 0.147 1.00 11.34 H new ATOM 0 HE3 LYS A 109 6.108 20.302 -0.699 1.00 11.34 H new ATOM 0 HZ1 LYS A 109 8.209 20.822 -1.740 1.00 24.43 H new ATOM 0 HZ2 LYS A 109 6.931 21.184 -2.797 1.00 24.43 H new ATOM 0 HZ3 LYS A 109 7.735 22.435 -1.978 1.00 24.43 H new ATOM 1530 N ARG A 110 0.423 22.169 1.679 1.00 1.34 N ATOM 1531 CA ARG A 110 -0.745 23.002 1.359 1.00 52.04 C ATOM 1532 C ARG A 110 -1.106 23.863 2.577 1.00 42.22 C ATOM 1533 O ARG A 110 -1.963 23.487 3.385 1.00 14.03 O ATOM 1534 CB ARG A 110 -1.930 22.125 0.877 1.00 20.44 C ATOM 1535 CG ARG A 110 -2.362 22.353 -0.580 1.00 75.21 C ATOM 1536 CD ARG A 110 -2.851 23.780 -0.867 1.00 71.53 C ATOM 1537 NE ARG A 110 -1.882 24.598 -1.617 1.00 2.02 N ATOM 1538 CZ ARG A 110 -2.077 25.861 -2.022 1.00 3.31 C ATOM 1539 NH1 ARG A 110 -3.196 26.518 -1.732 1.00 75.12 N ATOM 1540 NH2 ARG A 110 -1.131 26.486 -2.711 1.00 35.11 N ATOM 0 H ARG A 110 0.640 22.145 2.675 1.00 1.34 H new ATOM 0 HA ARG A 110 -0.504 23.674 0.535 1.00 52.04 H new ATOM 0 HB2 ARG A 110 -1.658 21.076 0.999 1.00 20.44 H new ATOM 0 HB3 ARG A 110 -2.786 22.310 1.526 1.00 20.44 H new ATOM 0 HG2 ARG A 110 -1.522 22.128 -1.237 1.00 75.21 H new ATOM 0 HG3 ARG A 110 -3.157 21.650 -0.827 1.00 75.21 H new ATOM 0 HD2 ARG A 110 -3.783 23.729 -1.430 1.00 71.53 H new ATOM 0 HD3 ARG A 110 -3.076 24.274 0.078 1.00 71.53 H new ATOM 0 HE ARG A 110 -0.987 24.167 -1.848 1.00 2.02 H new ATOM 0 HH11 ARG A 110 -3.930 26.061 -1.190 1.00 75.12 H new ATOM 0 HH12 ARG A 110 -3.321 27.479 -2.052 1.00 75.12 H new ATOM 0 HH21 ARG A 110 -0.259 26.006 -2.931 1.00 35.11 H new ATOM 0 HH22 ARG A 110 -1.276 27.447 -3.021 1.00 35.11 H new ATOM 1551 N ASP A 111 -0.441 25.006 2.727 1.00 23.24 N ATOM 1552 CA ASP A 111 -0.654 25.963 3.819 1.00 60.30 C ATOM 1553 C ASP A 111 -0.495 27.386 3.277 1.00 42.24 C ATOM 1554 O ASP A 111 0.303 27.621 2.362 1.00 51.22 O ATOM 1555 CB ASP A 111 0.314 25.704 4.992 1.00 34.11 C ATOM 1556 CG ASP A 111 1.756 26.121 4.690 1.00 4.44 C ATOM 1557 OD1 ASP A 111 2.487 25.317 4.062 1.00 23.21 O ATOM 1558 OD2 ASP A 111 2.125 27.276 5.001 1.00 3.01 O ATOM 0 H ASP A 111 0.284 25.304 2.074 1.00 23.24 H new ATOM 0 HA ASP A 111 -1.664 25.837 4.208 1.00 60.30 H new ATOM 0 HB2 ASP A 111 -0.037 26.246 5.870 1.00 34.11 H new ATOM 0 HB3 ASP A 111 0.295 24.643 5.243 1.00 34.11 H new ATOM 1562 N MET A 112 -1.277 28.328 3.802 1.00 73.44 N ATOM 1563 CA MET A 112 -1.267 29.759 3.481 1.00 54.32 C ATOM 1564 C MET A 112 -1.644 30.533 4.757 1.00 11.12 C ATOM 1565 O MET A 112 -1.967 29.900 5.768 1.00 73.34 O ATOM 1566 CB MET A 112 -2.244 30.032 2.324 1.00 54.00 C ATOM 1567 CG MET A 112 -1.743 31.167 1.431 1.00 15.13 C ATOM 1568 SD MET A 112 -2.826 31.533 0.029 1.00 35.22 S ATOM 1569 CE MET A 112 -1.752 32.720 -0.809 1.00 72.32 C ATOM 0 H MET A 112 -1.979 28.101 4.507 1.00 73.44 H new ATOM 0 HA MET A 112 -0.281 30.088 3.152 1.00 54.32 H new ATOM 0 HB2 MET A 112 -2.369 29.127 1.730 1.00 54.00 H new ATOM 0 HB3 MET A 112 -3.224 30.288 2.726 1.00 54.00 H new ATOM 0 HG2 MET A 112 -1.630 32.068 2.035 1.00 15.13 H new ATOM 0 HG3 MET A 112 -0.753 30.909 1.055 1.00 15.13 H new ATOM 0 HE1 MET A 112 -2.241 33.076 -1.716 1.00 72.32 H new ATOM 0 HE2 MET A 112 -1.556 33.564 -0.147 1.00 72.32 H new ATOM 0 HE3 MET A 112 -0.810 32.237 -1.070 1.00 72.32 H new ATOM 1577 N ALA A 113 -1.628 31.870 4.749 1.00 1.14 N ATOM 1578 CA ALA A 113 -2.013 32.686 5.899 1.00 62.24 C ATOM 1579 C ALA A 113 -2.623 34.020 5.455 1.00 62.22 C ATOM 1580 O ALA A 113 -2.413 34.447 4.314 1.00 21.24 O ATOM 1581 CB ALA A 113 -0.764 32.930 6.752 1.00 53.21 C ATOM 0 H ALA A 113 -1.345 32.418 3.937 1.00 1.14 H new ATOM 0 HA ALA A 113 -2.772 32.160 6.478 1.00 62.24 H new ATOM 0 HB1 ALA A 113 -1.028 33.538 7.617 1.00 53.21 H new ATOM 0 HB2 ALA A 113 -0.361 31.975 7.089 1.00 53.21 H new ATOM 0 HB3 ALA A 113 -0.014 33.451 6.158 1.00 53.21 H new ATOM 1587 N SER A 114 -3.327 34.707 6.364 1.00 31.51 N ATOM 1588 CA SER A 114 -3.765 36.095 6.229 1.00 60.41 C ATOM 1589 C SER A 114 -4.079 36.686 7.615 1.00 1.01 C ATOM 1590 O SER A 114 -4.169 35.947 8.603 1.00 71.34 O ATOM 1591 CB SER A 114 -4.967 36.172 5.266 1.00 23.52 C ATOM 1592 OG SER A 114 -4.827 37.264 4.371 1.00 35.25 O ATOM 0 H SER A 114 -3.617 34.290 7.249 1.00 31.51 H new ATOM 0 HA SER A 114 -2.966 36.698 5.798 1.00 60.41 H new ATOM 0 HB2 SER A 114 -5.047 35.242 4.703 1.00 23.52 H new ATOM 0 HB3 SER A 114 -5.889 36.280 5.837 1.00 23.52 H new ATOM 0 HG SER A 114 -5.599 37.294 3.768 1.00 35.25 H new ATOM 1597 N ASN A 115 -4.171 38.016 7.709 1.00 71.31 N ATOM 1598 CA ASN A 115 -4.596 38.805 8.871 1.00 54.14 C ATOM 1599 C ASN A 115 -4.742 40.249 8.397 1.00 21.22 C ATOM 1600 O ASN A 115 -3.758 40.815 7.914 1.00 40.34 O ATOM 1601 CB ASN A 115 -3.561 38.761 10.008 1.00 4.11 C ATOM 1602 CG ASN A 115 -3.910 39.686 11.177 1.00 3.13 C ATOM 1603 OD1 ASN A 115 -3.760 40.908 11.104 1.00 21.14 O ATOM 1604 ND2 ASN A 115 -4.334 39.126 12.297 1.00 12.22 N ATOM 0 H ASN A 115 -3.933 38.614 6.917 1.00 71.31 H new ATOM 0 HA ASN A 115 -5.528 38.397 9.261 1.00 54.14 H new ATOM 0 HB2 ASN A 115 -3.477 37.738 10.375 1.00 4.11 H new ATOM 0 HB3 ASN A 115 -2.584 39.039 9.612 1.00 4.11 H new ATOM 0 HD21 ASN A 115 -4.540 39.705 13.111 1.00 12.22 H new ATOM 0 HD22 ASN A 115 -4.455 38.114 12.347 1.00 12.22 H new ATOM 1610 N GLU A 116 -5.927 40.841 8.515 1.00 31.14 N ATOM 1611 CA GLU A 116 -6.200 42.219 8.120 1.00 75.11 C ATOM 1612 C GLU A 116 -7.386 42.734 8.962 1.00 11.13 C ATOM 1613 O GLU A 116 -7.705 42.128 9.988 1.00 13.24 O ATOM 1614 CB GLU A 116 -6.450 42.259 6.600 1.00 71.40 C ATOM 1615 CG GLU A 116 -6.168 43.645 5.998 1.00 43.13 C ATOM 1616 CD GLU A 116 -7.352 44.113 5.166 1.00 33.55 C ATOM 1617 OE1 GLU A 116 -8.304 44.663 5.758 1.00 43.12 O ATOM 1618 OE2 GLU A 116 -7.382 43.845 3.938 1.00 3.42 O ATOM 0 H GLU A 116 -6.744 40.364 8.897 1.00 31.14 H new ATOM 0 HA GLU A 116 -5.357 42.882 8.313 1.00 75.11 H new ATOM 0 HB2 GLU A 116 -5.818 41.518 6.111 1.00 71.40 H new ATOM 0 HB3 GLU A 116 -7.484 41.981 6.397 1.00 71.40 H new ATOM 0 HG2 GLU A 116 -5.970 44.361 6.795 1.00 43.13 H new ATOM 0 HG3 GLU A 116 -5.273 43.604 5.377 1.00 43.13 H new ATOM 1623 N GLY A 117 -8.046 43.833 8.581 1.00 61.11 N ATOM 1624 CA GLY A 117 -9.251 44.318 9.244 1.00 31.43 C ATOM 1625 C GLY A 117 -8.964 44.949 10.602 1.00 33.34 C ATOM 1626 O GLY A 117 -9.383 44.434 11.641 1.00 54.21 O ATOM 0 H GLY A 117 -7.752 44.413 7.795 1.00 61.11 H new ATOM 0 HA2 GLY A 117 -9.742 45.051 8.604 1.00 31.43 H new ATOM 0 HA3 GLY A 117 -9.948 43.490 9.373 1.00 31.43 H new ATOM 1630 N SER A 118 -8.273 46.087 10.603 1.00 22.43 N ATOM 1631 CA SER A 118 -7.766 46.760 11.801 1.00 11.22 C ATOM 1632 C SER A 118 -8.364 48.175 11.948 1.00 53.25 C ATOM 1633 O SER A 118 -7.741 49.077 12.504 1.00 54.05 O ATOM 1634 CB SER A 118 -6.218 46.707 11.811 1.00 61.44 C ATOM 1635 OG SER A 118 -5.669 46.048 10.674 1.00 11.40 O ATOM 0 H SER A 118 -8.042 46.584 9.743 1.00 22.43 H new ATOM 0 HA SER A 118 -8.098 46.232 12.695 1.00 11.22 H new ATOM 0 HB2 SER A 118 -5.827 47.723 11.857 1.00 61.44 H new ATOM 0 HB3 SER A 118 -5.885 46.196 12.714 1.00 61.44 H new ATOM 0 HG SER A 118 -4.691 46.048 10.736 1.00 11.40 H new ATOM 1640 N ARG A 119 -9.587 48.405 11.446 1.00 1.40 N ATOM 1641 CA ARG A 119 -10.210 49.720 11.312 1.00 2.23 C ATOM 1642 C ARG A 119 -11.553 49.675 12.031 1.00 14.01 C ATOM 1643 O ARG A 119 -12.599 49.464 11.421 1.00 3.24 O ATOM 1644 CB ARG A 119 -10.282 50.118 9.819 1.00 34.34 C ATOM 1645 CG ARG A 119 -10.624 51.598 9.549 1.00 15.45 C ATOM 1646 CD ARG A 119 -12.078 51.944 9.894 1.00 52.33 C ATOM 1647 NE ARG A 119 -12.460 53.328 9.565 1.00 32.41 N ATOM 1648 CZ ARG A 119 -13.461 53.979 10.179 1.00 42.04 C ATOM 1649 NH1 ARG A 119 -14.224 53.339 11.063 1.00 63.42 N ATOM 1650 NH2 ARG A 119 -13.689 55.263 9.915 1.00 51.41 N ATOM 0 H ARG A 119 -10.186 47.650 11.112 1.00 1.40 H new ATOM 0 HA ARG A 119 -9.622 50.508 11.783 1.00 2.23 H new ATOM 0 HB2 ARG A 119 -9.323 49.893 9.353 1.00 34.34 H new ATOM 0 HB3 ARG A 119 -11.029 49.494 9.329 1.00 34.34 H new ATOM 0 HG2 ARG A 119 -9.956 52.233 10.131 1.00 15.45 H new ATOM 0 HG3 ARG A 119 -10.441 51.823 8.498 1.00 15.45 H new ATOM 0 HD2 ARG A 119 -12.739 51.260 9.362 1.00 52.33 H new ATOM 0 HD3 ARG A 119 -12.237 51.778 10.959 1.00 52.33 H new ATOM 0 HE ARG A 119 -11.939 53.815 8.836 1.00 32.41 H new ATOM 0 HH11 ARG A 119 -14.047 52.356 11.272 1.00 63.42 H new ATOM 0 HH12 ARG A 119 -14.985 53.831 11.531 1.00 63.42 H new ATOM 0 HH21 ARG A 119 -13.102 55.758 9.243 1.00 51.41 H new ATOM 0 HH22 ARG A 119 -14.451 55.753 10.384 1.00 51.41 H new ATOM 1661 N ILE A 120 -11.521 49.927 13.330 1.00 4.23 N ATOM 1662 CA ILE A 120 -12.699 50.187 14.165 1.00 43.22 C ATOM 1663 C ILE A 120 -12.695 51.688 14.518 1.00 51.41 C ATOM 1664 O ILE A 120 -11.676 52.362 14.365 1.00 71.11 O ATOM 1665 CB ILE A 120 -12.698 49.210 15.376 1.00 71.23 C ATOM 1666 CG1 ILE A 120 -12.776 47.749 14.859 1.00 40.23 C ATOM 1667 CG2 ILE A 120 -13.855 49.474 16.361 1.00 42.44 C ATOM 1668 CD1 ILE A 120 -12.610 46.673 15.941 1.00 74.53 C ATOM 0 H ILE A 120 -10.648 49.959 13.857 1.00 4.23 H new ATOM 0 HA ILE A 120 -13.641 49.990 13.653 1.00 43.22 H new ATOM 0 HB ILE A 120 -11.770 49.375 15.924 1.00 71.23 H new ATOM 0 HG12 ILE A 120 -13.738 47.604 14.367 1.00 40.23 H new ATOM 0 HG13 ILE A 120 -12.005 47.605 14.102 1.00 40.23 H new ATOM 0 HG21 ILE A 120 -13.802 48.762 17.184 1.00 42.44 H new ATOM 0 HG22 ILE A 120 -13.775 50.488 16.753 1.00 42.44 H new ATOM 0 HG23 ILE A 120 -14.807 49.359 15.843 1.00 42.44 H new ATOM 0 HD11 ILE A 120 -12.679 45.685 15.485 1.00 74.53 H new ATOM 0 HD12 ILE A 120 -11.637 46.785 16.419 1.00 74.53 H new ATOM 0 HD13 ILE A 120 -13.396 46.784 16.688 1.00 74.53 H new ATOM 1679 N SER A 121 -13.828 52.246 14.953 1.00 0.10 N ATOM 1680 CA SER A 121 -13.953 53.602 15.460 1.00 23.34 C ATOM 1681 C SER A 121 -15.077 53.627 16.494 1.00 2.41 C ATOM 1682 O SER A 121 -16.164 53.144 16.175 1.00 3.40 O ATOM 1683 CB SER A 121 -14.265 54.532 14.284 1.00 21.11 C ATOM 1684 OG SER A 121 -15.389 54.095 13.529 1.00 71.55 O ATOM 0 H SER A 121 -14.714 51.740 14.959 1.00 0.10 H new ATOM 0 HA SER A 121 -13.031 53.936 15.935 1.00 23.34 H new ATOM 0 HB2 SER A 121 -14.452 55.538 14.660 1.00 21.11 H new ATOM 0 HB3 SER A 121 -13.394 54.593 13.631 1.00 21.11 H new ATOM 0 HG SER A 121 -15.976 53.556 14.099 1.00 71.55 H new ATOM 1689 N ALA A 122 -14.838 54.227 17.668 1.00 11.30 N ATOM 1690 CA ALA A 122 -15.691 54.132 18.857 1.00 51.44 C ATOM 1691 C ALA A 122 -15.905 52.667 19.280 1.00 74.11 C ATOM 1692 O ALA A 122 -15.219 51.772 18.786 1.00 43.24 O ATOM 1693 CB ALA A 122 -16.993 54.933 18.672 1.00 51.41 C ATOM 0 H ALA A 122 -14.016 54.812 17.820 1.00 11.30 H new ATOM 0 HA ALA A 122 -15.176 54.600 19.696 1.00 51.44 H new ATOM 0 HB1 ALA A 122 -17.605 54.844 19.569 1.00 51.41 H new ATOM 0 HB2 ALA A 122 -16.753 55.982 18.499 1.00 51.41 H new ATOM 0 HB3 ALA A 122 -17.543 54.541 17.817 1.00 51.41 H new ATOM 1699 N ALA A 123 -16.789 52.438 20.256 1.00 31.20 N ATOM 1700 CA ALA A 123 -17.069 51.113 20.810 1.00 3.22 C ATOM 1701 C ALA A 123 -18.545 50.923 21.179 1.00 13.33 C ATOM 1702 O ALA A 123 -19.013 49.791 21.258 1.00 41.42 O ATOM 1703 CB ALA A 123 -16.195 50.888 22.052 1.00 21.51 C ATOM 0 H ALA A 123 -17.338 53.181 20.689 1.00 31.20 H new ATOM 0 HA ALA A 123 -16.836 50.381 20.037 1.00 3.22 H new ATOM 0 HB1 ALA A 123 -16.401 49.902 22.468 1.00 21.51 H new ATOM 0 HB2 ALA A 123 -15.143 50.952 21.773 1.00 21.51 H new ATOM 0 HB3 ALA A 123 -16.420 51.650 22.798 1.00 21.51 H new ATOM 1709 N SER A 124 -19.297 51.997 21.422 1.00 13.02 N ATOM 1710 CA SER A 124 -20.735 51.991 21.665 1.00 11.22 C ATOM 1711 C SER A 124 -21.256 53.398 21.353 1.00 42.43 C ATOM 1712 O SER A 124 -20.461 54.313 21.118 1.00 3.32 O ATOM 1713 CB SER A 124 -21.018 51.616 23.129 1.00 20.32 C ATOM 1714 OG SER A 124 -20.595 50.294 23.409 1.00 34.43 O ATOM 0 H SER A 124 -18.900 52.936 21.456 1.00 13.02 H new ATOM 0 HA SER A 124 -21.235 51.256 21.035 1.00 11.22 H new ATOM 0 HB2 SER A 124 -20.505 52.313 23.792 1.00 20.32 H new ATOM 0 HB3 SER A 124 -22.085 51.710 23.332 1.00 20.32 H new ATOM 0 HG SER A 124 -20.125 49.929 22.630 1.00 34.43 H new ATOM 1719 N VAL A 125 -22.575 53.580 21.365 1.00 55.43 N ATOM 1720 CA VAL A 125 -23.254 54.854 21.203 1.00 33.44 C ATOM 1721 C VAL A 125 -24.571 54.739 21.983 1.00 41.22 C ATOM 1722 O VAL A 125 -25.013 53.631 22.292 1.00 1.31 O ATOM 1723 CB VAL A 125 -23.422 55.152 19.689 1.00 3.31 C ATOM 1724 CG1 VAL A 125 -24.290 54.119 18.950 1.00 11.22 C ATOM 1725 CG2 VAL A 125 -23.961 56.563 19.413 1.00 73.31 C ATOM 0 H VAL A 125 -23.225 52.805 21.494 1.00 55.43 H new ATOM 0 HA VAL A 125 -22.697 55.703 21.600 1.00 33.44 H new ATOM 0 HB VAL A 125 -22.409 55.082 19.293 1.00 3.31 H new ATOM 0 HG11 VAL A 125 -24.363 54.392 17.897 1.00 11.22 H new ATOM 0 HG12 VAL A 125 -23.836 53.132 19.038 1.00 11.22 H new ATOM 0 HG13 VAL A 125 -25.287 54.100 19.390 1.00 11.22 H new ATOM 0 HG21 VAL A 125 -24.057 56.712 18.337 1.00 73.31 H new ATOM 0 HG22 VAL A 125 -24.937 56.678 19.884 1.00 73.31 H new ATOM 0 HG23 VAL A 125 -23.272 57.302 19.822 1.00 73.31 H new ATOM 1735 N ALA A 126 -25.205 55.868 22.284 1.00 75.33 N ATOM 1736 CA ALA A 126 -26.581 55.960 22.746 1.00 44.42 C ATOM 1737 C ALA A 126 -27.205 57.159 22.036 1.00 60.31 C ATOM 1738 O ALA A 126 -26.498 58.110 21.697 1.00 63.22 O ATOM 1739 CB ALA A 126 -26.617 56.131 24.269 1.00 2.11 C ATOM 0 H ALA A 126 -24.753 56.780 22.209 1.00 75.33 H new ATOM 0 HA ALA A 126 -27.140 55.053 22.517 1.00 44.42 H new ATOM 0 HB1 ALA A 126 -27.652 56.199 24.603 1.00 2.11 H new ATOM 0 HB2 ALA A 126 -26.138 55.274 24.743 1.00 2.11 H new ATOM 0 HB3 ALA A 126 -26.086 57.042 24.545 1.00 2.11 H new ATOM 1745 N SER A 127 -28.513 57.109 21.799 1.00 52.05 N ATOM 1746 CA SER A 127 -29.209 58.074 20.952 1.00 52.11 C ATOM 1747 C SER A 127 -30.676 58.263 21.366 1.00 62.52 C ATOM 1748 O SER A 127 -31.460 58.830 20.609 1.00 72.25 O ATOM 1749 CB SER A 127 -29.082 57.603 19.496 1.00 23.51 C ATOM 1750 OG SER A 127 -29.478 56.246 19.367 1.00 40.01 O ATOM 0 H SER A 127 -29.124 56.393 22.192 1.00 52.05 H new ATOM 0 HA SER A 127 -28.749 59.055 21.067 1.00 52.11 H new ATOM 0 HB2 SER A 127 -29.699 58.229 18.852 1.00 23.51 H new ATOM 0 HB3 SER A 127 -28.051 57.719 19.160 1.00 23.51 H new ATOM 0 HG SER A 127 -29.391 55.967 18.432 1.00 40.01 H new ATOM 1755 N THR A 128 -31.075 57.757 22.533 1.00 31.54 N ATOM 1756 CA THR A 128 -32.432 57.856 23.047 1.00 40.32 C ATOM 1757 C THR A 128 -32.361 57.812 24.578 1.00 20.43 C ATOM 1758 O THR A 128 -31.300 57.519 25.137 1.00 61.51 O ATOM 1759 CB THR A 128 -33.290 56.734 22.422 1.00 42.24 C ATOM 1760 OG1 THR A 128 -34.652 56.945 22.716 1.00 34.30 O ATOM 1761 CG2 THR A 128 -32.895 55.320 22.872 1.00 31.21 C ATOM 0 H THR A 128 -30.445 57.256 23.159 1.00 31.54 H new ATOM 0 HA THR A 128 -32.915 58.794 22.773 1.00 40.32 H new ATOM 0 HB THR A 128 -33.108 56.787 21.349 1.00 42.24 H new ATOM 0 HG1 THR A 128 -35.188 56.230 22.314 1.00 34.30 H new ATOM 0 HG21 THR A 128 -33.544 54.590 22.389 1.00 31.21 H new ATOM 0 HG22 THR A 128 -31.859 55.125 22.593 1.00 31.21 H new ATOM 0 HG23 THR A 128 -33.000 55.240 23.954 1.00 31.21 H new ATOM 1769 N ALA A 129 -33.486 58.074 25.240 1.00 20.24 N ATOM 1770 CA ALA A 129 -33.721 57.853 26.656 1.00 64.15 C ATOM 1771 C ALA A 129 -35.165 57.371 26.783 1.00 71.11 C ATOM 1772 O ALA A 129 -36.019 57.792 26.001 1.00 51.22 O ATOM 1773 CB ALA A 129 -33.502 59.153 27.439 1.00 21.13 C ATOM 0 H ALA A 129 -34.301 58.469 24.771 1.00 20.24 H new ATOM 0 HA ALA A 129 -33.031 57.116 27.067 1.00 64.15 H new ATOM 0 HB1 ALA A 129 -33.681 58.974 28.499 1.00 21.13 H new ATOM 0 HB2 ALA A 129 -32.477 59.495 27.297 1.00 21.13 H new ATOM 0 HB3 ALA A 129 -34.192 59.916 27.078 1.00 21.13 H new ATOM 1779 N ILE A 130 -35.421 56.487 27.742 1.00 20.42 N ATOM 1780 CA ILE A 130 -36.725 55.963 28.124 1.00 15.44 C ATOM 1781 C ILE A 130 -36.669 55.672 29.630 1.00 12.40 C ATOM 1782 O ILE A 130 -35.567 55.612 30.188 1.00 74.11 O ATOM 1783 CB ILE A 130 -37.120 54.696 27.314 1.00 14.22 C ATOM 1784 CG1 ILE A 130 -36.296 53.416 27.602 1.00 21.41 C ATOM 1785 CG2 ILE A 130 -37.215 54.954 25.798 1.00 11.53 C ATOM 1786 CD1 ILE A 130 -34.800 53.446 27.253 1.00 40.31 C ATOM 0 H ILE A 130 -34.672 56.092 28.310 1.00 20.42 H new ATOM 0 HA ILE A 130 -37.498 56.698 27.898 1.00 15.44 H new ATOM 0 HB ILE A 130 -38.118 54.481 27.696 1.00 14.22 H new ATOM 0 HG12 ILE A 130 -36.390 53.186 28.663 1.00 21.41 H new ATOM 0 HG13 ILE A 130 -36.753 52.591 27.056 1.00 21.41 H new ATOM 0 HG21 ILE A 130 -37.494 54.032 25.289 1.00 11.53 H new ATOM 0 HG22 ILE A 130 -37.969 55.717 25.605 1.00 11.53 H new ATOM 0 HG23 ILE A 130 -36.249 55.296 25.426 1.00 11.53 H new ATOM 0 HD11 ILE A 130 -34.348 52.487 27.506 1.00 40.31 H new ATOM 0 HD12 ILE A 130 -34.679 53.634 26.186 1.00 40.31 H new ATOM 0 HD13 ILE A 130 -34.310 54.239 27.819 1.00 40.31 H new ATOM 1797 N ALA A 131 -37.835 55.394 30.224 1.00 13.11 N ATOM 1798 CA ALA A 131 -38.141 55.615 31.634 1.00 71.25 C ATOM 1799 C ALA A 131 -38.012 57.112 31.920 1.00 53.11 C ATOM 1800 O ALA A 131 -37.665 57.462 33.067 1.00 31.23 O ATOM 1801 CB ALA A 131 -37.328 54.702 32.568 1.00 62.22 C ATOM 0 H ALA A 131 -38.620 54.993 29.711 1.00 13.11 H new ATOM 0 HA ALA A 131 -39.169 55.323 31.849 1.00 71.25 H new ATOM 0 HB1 ALA A 131 -37.596 54.910 33.604 1.00 62.22 H new ATOM 0 HB2 ALA A 131 -37.547 53.659 32.339 1.00 62.22 H new ATOM 0 HB3 ALA A 131 -36.264 54.889 32.424 1.00 62.22 H new TER 1807 ALA A 131