USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 0 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 79 TYR OH : rot 180:sc= 0.558 USER MOD Set 1.2: A 83 GLN : amide:sc= -0.585 K(o=-0.027,f=-2.9) USER MOD Set 2.1: A 53 GLN : amide:sc= 0.942 K(o=3.1,f=-14!) USER MOD Set 2.2: A 58 LYS NZ :NH3+ -144:sc= 2.11 (180deg=-0.233!) USER MOD Set 3.1: A 31 THR OG1 : rot 136:sc= 1.14 USER MOD Set 3.2: A 33 GLN : amide:sc= 1.19 K(o=2.3,f=-2.1) USER MOD Single : A 8 LYS NZ :NH3+ -160:sc= 1.01 (180deg=-0.597) USER MOD Single : A 14 ASN : amide:sc= 1.04 K(o=1,f=0.18) USER MOD Single : A 15 CYS SG : rot 180:sc= -1.4 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.195 X(o=-0.2,f=-0.034) USER MOD Single : A 24 ASN : amide:sc= 2.03 K(o=2,f=-11!) USER MOD Single : A 25 ASN : amide:sc= 0.515 K(o=0.51,f=-3.4!) USER MOD Single : A 30 HIS : no HD1:sc= -1.21 X(o=-1.2,f=-1.2) USER MOD Single : A 34 LYS NZ :NH3+ -120:sc= 0.996 (180deg=-3.5!) USER MOD Single : A 39 GLN : amide:sc= 0.988 K(o=0.99,f=0) USER MOD Single : A 46 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 52 TYR OH : rot 174:sc= 1.2 USER MOD Single : A 56 ASN : amide:sc= 1.17 K(o=1.2,f=-0.15) USER MOD Single : A 61 MET CE :methyl -173:sc= -0.419 (180deg=-0.531) USER MOD Single : A 81 TYR OH : rot -6:sc= 1.16 USER MOD Single : A 87 ASN : amide:sc= 0.397 K(o=0.4,f=-0.49) USER MOD Single : A 88 LYS NZ :NH3+ -158:sc= 2.04 (180deg=0.0194) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 4 5.355 -11.805 3.434 1.00 0.00 N ATOM 24 CA LEU A 4 5.470 -10.542 4.129 1.00 0.00 C ATOM 25 C LEU A 4 6.900 -10.005 4.033 1.00 0.00 C ATOM 26 O LEU A 4 7.086 -8.794 4.087 1.00 0.00 O ATOM 27 CB LEU A 4 5.025 -10.705 5.589 1.00 0.00 C ATOM 28 CG LEU A 4 3.666 -11.409 5.751 1.00 0.00 C ATOM 29 CD1 LEU A 4 3.181 -11.240 7.192 1.00 0.00 C ATOM 30 CD2 LEU A 4 2.570 -10.853 4.840 1.00 0.00 C ATOM 0 HA LEU A 4 4.814 -9.812 3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.784 -11.272 6.129 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.971 -9.721 6.054 1.00 0.00 H new ATOM 0 HG LEU A 4 3.834 -12.452 5.481 1.00 0.00 H new ATOM 0 HD11 LEU A 4 2.218 -11.737 7.313 1.00 0.00 H new ATOM 0 HD12 LEU A 4 3.906 -11.683 7.874 1.00 0.00 H new ATOM 0 HD13 LEU A 4 3.072 -10.179 7.417 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.642 -11.399 5.011 1.00 0.00 H new ATOM 0 HD22 LEU A 4 2.415 -9.797 5.060 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.870 -10.966 3.798 1.00 0.00 H new ATOM 31 N ALA A 5 7.911 -10.870 3.902 1.00 0.00 N ATOM 32 CA ALA A 5 9.303 -10.437 3.845 1.00 0.00 C ATOM 33 C ALA A 5 9.595 -9.728 2.524 1.00 0.00 C ATOM 34 O ALA A 5 10.081 -8.600 2.541 1.00 0.00 O ATOM 35 CB ALA A 5 10.234 -11.627 4.079 1.00 0.00 C ATOM 0 H ALA A 5 7.785 -11.880 3.833 1.00 0.00 H new ATOM 0 HA ALA A 5 9.485 -9.715 4.641 1.00 0.00 H new ATOM 0 HB1 ALA A 5 11.270 -11.292 4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 5 10.034 -12.058 5.060 1.00 0.00 H new ATOM 0 HB3 ALA A 5 10.062 -12.380 3.310 1.00 0.00 H new ATOM 36 N LEU A 6 9.286 -10.347 1.380 1.00 0.00 N ATOM 37 CA LEU A 6 9.348 -9.720 0.075 1.00 0.00 C ATOM 38 C LEU A 6 8.575 -8.403 0.118 1.00 0.00 C ATOM 39 O LEU A 6 9.133 -7.341 -0.158 1.00 0.00 O ATOM 40 CB LEU A 6 8.759 -10.700 -0.952 1.00 0.00 C ATOM 41 CG LEU A 6 8.663 -10.112 -2.361 1.00 0.00 C ATOM 42 CD1 LEU A 6 10.040 -10.013 -3.030 1.00 0.00 C ATOM 43 CD2 LEU A 6 7.724 -10.957 -3.226 1.00 0.00 C ATOM 0 H LEU A 6 8.980 -11.319 1.345 1.00 0.00 H new ATOM 0 HA LEU A 6 10.374 -9.491 -0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.375 -11.599 -0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.765 -11.006 -0.624 1.00 0.00 H new ATOM 0 HG LEU A 6 8.261 -9.103 -2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.930 -9.591 -4.029 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.689 -9.371 -2.434 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.481 -11.007 -3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.665 -10.527 -4.226 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.107 -11.975 -3.291 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.730 -10.971 -2.778 1.00 0.00 H new ATOM 44 N GLY A 7 7.289 -8.467 0.475 1.00 0.00 N ATOM 45 CA GLY A 7 6.454 -7.280 0.509 1.00 0.00 C ATOM 46 C GLY A 7 7.071 -6.191 1.387 1.00 0.00 C ATOM 47 O GLY A 7 7.118 -5.028 0.989 1.00 0.00 O ATOM 0 H GLY A 7 6.812 -9.328 0.742 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.318 -6.900 -0.503 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.465 -7.539 0.888 1.00 0.00 H new ATOM 48 N LYS A 8 7.591 -6.548 2.563 1.00 0.00 N ATOM 49 CA LYS A 8 8.310 -5.614 3.402 1.00 0.00 C ATOM 50 C LYS A 8 9.501 -5.017 2.651 1.00 0.00 C ATOM 51 O LYS A 8 9.626 -3.805 2.586 1.00 0.00 O ATOM 52 CB LYS A 8 8.745 -6.280 4.712 1.00 0.00 C ATOM 53 CG LYS A 8 9.521 -5.243 5.522 1.00 0.00 C ATOM 54 CD LYS A 8 9.853 -5.715 6.938 1.00 0.00 C ATOM 55 CE LYS A 8 10.128 -4.542 7.893 1.00 0.00 C ATOM 56 NZ LYS A 8 10.853 -3.417 7.262 1.00 0.00 N ATOM 0 H LYS A 8 7.521 -7.489 2.950 1.00 0.00 H new ATOM 0 HA LYS A 8 7.638 -4.795 3.659 1.00 0.00 H new ATOM 0 HB2 LYS A 8 7.877 -6.630 5.270 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.367 -7.152 4.510 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.447 -5.001 5.000 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.937 -4.324 5.579 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.025 -6.309 7.324 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.726 -6.367 6.906 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.180 -4.176 8.287 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.707 -4.905 8.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.297 -2.833 7.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.587 -3.790 6.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.185 -2.836 6.716 1.00 0.00 H new ATOM 57 N ALA A 9 10.395 -5.847 2.120 1.00 0.00 N ATOM 58 CA ALA A 9 11.579 -5.390 1.401 1.00 0.00 C ATOM 59 C ALA A 9 11.211 -4.361 0.327 1.00 0.00 C ATOM 60 O ALA A 9 11.845 -3.311 0.218 1.00 0.00 O ATOM 61 CB ALA A 9 12.321 -6.586 0.795 1.00 0.00 C ATOM 0 H ALA A 9 10.317 -6.862 2.177 1.00 0.00 H new ATOM 0 HA ALA A 9 12.244 -4.895 2.108 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.203 -6.234 0.260 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.626 -7.266 1.590 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.662 -7.110 0.102 1.00 0.00 H new ATOM 62 N VAL A 10 10.163 -4.644 -0.452 1.00 0.00 N ATOM 63 CA VAL A 10 9.639 -3.697 -1.418 1.00 0.00 C ATOM 64 C VAL A 10 9.197 -2.422 -0.699 1.00 0.00 C ATOM 65 O VAL A 10 9.626 -1.329 -1.067 1.00 0.00 O ATOM 66 CB VAL A 10 8.482 -4.351 -2.189 1.00 0.00 C ATOM 67 CG1 VAL A 10 7.865 -3.372 -3.188 1.00 0.00 C ATOM 68 CG2 VAL A 10 8.952 -5.584 -2.966 1.00 0.00 C ATOM 0 H VAL A 10 9.662 -5.532 -0.425 1.00 0.00 H new ATOM 0 HA VAL A 10 10.410 -3.420 -2.137 1.00 0.00 H new ATOM 0 HB VAL A 10 7.741 -4.645 -1.445 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.049 -3.861 -3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.481 -2.502 -2.655 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.624 -3.054 -3.902 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.108 -6.021 -3.499 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.721 -5.292 -3.681 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.362 -6.317 -2.271 1.00 0.00 H new ATOM 69 N PHE A 11 8.339 -2.566 0.314 1.00 0.00 N ATOM 70 CA PHE A 11 7.774 -1.469 1.087 1.00 0.00 C ATOM 71 C PHE A 11 8.852 -0.504 1.574 1.00 0.00 C ATOM 72 O PHE A 11 8.838 0.688 1.260 1.00 0.00 O ATOM 73 CB PHE A 11 6.967 -2.031 2.259 1.00 0.00 C ATOM 74 CG PHE A 11 6.213 -0.977 3.032 1.00 0.00 C ATOM 75 CD1 PHE A 11 4.972 -0.524 2.553 1.00 0.00 C ATOM 76 CD2 PHE A 11 6.791 -0.385 4.170 1.00 0.00 C ATOM 77 CE1 PHE A 11 4.331 0.552 3.184 1.00 0.00 C ATOM 78 CE2 PHE A 11 6.128 0.669 4.821 1.00 0.00 C ATOM 79 CZ PHE A 11 4.900 1.140 4.325 1.00 0.00 C ATOM 0 H PHE A 11 8.011 -3.480 0.625 1.00 0.00 H new ATOM 0 HA PHE A 11 7.111 -0.897 0.438 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.259 -2.769 1.882 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.642 -2.554 2.937 1.00 0.00 H new ATOM 0 HD1 PHE A 11 4.513 -1.003 1.701 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.741 -0.739 4.542 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.398 0.929 2.792 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.562 1.117 5.703 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.394 1.955 4.822 1.00 0.00 H new ATOM 80 N ASP A 12 9.793 -1.056 2.335 1.00 0.00 N ATOM 81 CA ASP A 12 10.959 -0.405 2.887 1.00 0.00 C ATOM 82 C ASP A 12 11.655 0.469 1.839 1.00 0.00 C ATOM 83 O ASP A 12 12.076 1.581 2.151 1.00 0.00 O ATOM 84 CB ASP A 12 11.915 -1.492 3.404 1.00 0.00 C ATOM 85 CG ASP A 12 11.440 -2.248 4.640 1.00 0.00 C ATOM 86 OD1 ASP A 12 10.328 -1.990 5.157 1.00 0.00 O ATOM 87 OD2 ASP A 12 12.205 -3.108 5.135 1.00 0.00 O ATOM 0 H ASP A 12 9.750 -2.041 2.596 1.00 0.00 H new ATOM 0 HA ASP A 12 10.658 0.252 3.703 1.00 0.00 H new ATOM 0 HB2 ASP A 12 12.087 -2.211 2.603 1.00 0.00 H new ATOM 0 HB3 ASP A 12 12.876 -1.029 3.629 1.00 0.00 H new ATOM 88 N GLY A 13 11.797 -0.026 0.604 1.00 0.00 N ATOM 89 CA GLY A 13 12.504 0.695 -0.439 1.00 0.00 C ATOM 90 C GLY A 13 11.610 1.746 -1.090 1.00 0.00 C ATOM 91 O GLY A 13 12.032 2.878 -1.316 1.00 0.00 O ATOM 0 H GLY A 13 11.426 -0.929 0.310 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.387 1.176 -0.017 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.854 -0.007 -1.196 1.00 0.00 H new ATOM 92 N ASN A 14 10.392 1.344 -1.457 1.00 0.00 N ATOM 93 CA ASN A 14 9.583 2.050 -2.444 1.00 0.00 C ATOM 94 C ASN A 14 8.522 2.940 -1.806 1.00 0.00 C ATOM 95 O ASN A 14 8.155 3.969 -2.371 1.00 0.00 O ATOM 96 CB ASN A 14 8.896 1.047 -3.381 1.00 0.00 C ATOM 97 CG ASN A 14 9.893 0.291 -4.251 1.00 0.00 C ATOM 98 OD1 ASN A 14 10.179 0.695 -5.373 1.00 0.00 O ATOM 99 ND2 ASN A 14 10.427 -0.816 -3.745 1.00 0.00 N ATOM 0 H ASN A 14 9.939 0.514 -1.074 1.00 0.00 H new ATOM 0 HA ASN A 14 10.264 2.691 -3.005 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.321 0.335 -2.789 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.188 1.576 -4.019 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.096 -1.356 -4.294 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.168 -1.125 -2.808 1.00 0.00 H new ATOM 100 N CYS A 15 7.973 2.503 -0.674 1.00 0.00 N ATOM 101 CA CYS A 15 6.700 2.977 -0.147 1.00 0.00 C ATOM 102 C CYS A 15 6.944 3.800 1.116 1.00 0.00 C ATOM 103 O CYS A 15 6.380 4.882 1.285 1.00 0.00 O ATOM 104 CB CYS A 15 5.820 1.792 0.164 1.00 0.00 C ATOM 105 SG CYS A 15 5.711 0.564 -1.176 1.00 0.00 S ATOM 0 H CYS A 15 8.412 1.794 -0.087 1.00 0.00 H new ATOM 0 HA CYS A 15 6.205 3.607 -0.886 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.197 1.301 1.061 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.817 2.150 0.394 1.00 0.00 H new ATOM 0 HG CYS A 15 4.935 -0.412 -0.808 1.00 0.00 H new ATOM 106 N ALA A 16 7.818 3.295 1.994 1.00 0.00 N ATOM 107 CA ALA A 16 8.185 3.929 3.255 1.00 0.00 C ATOM 108 C ALA A 16 8.570 5.403 3.078 1.00 0.00 C ATOM 109 O ALA A 16 8.325 6.211 3.971 1.00 0.00 O ATOM 110 CB ALA A 16 9.325 3.147 3.909 1.00 0.00 C ATOM 0 H ALA A 16 8.300 2.410 1.838 1.00 0.00 H new ATOM 0 HA ALA A 16 7.310 3.911 3.904 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.598 3.622 4.851 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.002 2.123 4.099 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.188 3.138 3.244 1.00 0.00 H new ATOM 111 N ALA A 17 9.140 5.753 1.918 1.00 0.00 N ATOM 112 CA ALA A 17 9.385 7.130 1.502 1.00 0.00 C ATOM 113 C ALA A 17 8.220 8.054 1.876 1.00 0.00 C ATOM 114 O ALA A 17 8.428 9.131 2.435 1.00 0.00 O ATOM 115 CB ALA A 17 9.611 7.162 -0.014 1.00 0.00 C ATOM 0 H ALA A 17 9.449 5.066 1.230 1.00 0.00 H new ATOM 0 HA ALA A 17 10.270 7.493 2.024 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.795 8.188 -0.333 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.472 6.544 -0.267 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.727 6.777 -0.522 1.00 0.00 H new ATOM 116 N CYS A 18 6.997 7.625 1.557 1.00 0.00 N ATOM 117 CA CYS A 18 5.782 8.390 1.804 1.00 0.00 C ATOM 118 C CYS A 18 5.019 7.830 3.004 1.00 0.00 C ATOM 119 O CYS A 18 4.316 8.585 3.669 1.00 0.00 O ATOM 120 CB CYS A 18 4.932 8.420 0.565 1.00 0.00 C ATOM 121 SG CYS A 18 5.781 9.363 -0.737 1.00 0.00 S ATOM 0 H CYS A 18 6.825 6.723 1.114 1.00 0.00 H new ATOM 0 HA CYS A 18 6.054 9.416 2.050 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.735 7.404 0.222 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.966 8.874 0.786 1.00 0.00 H new ATOM 0 HG CYS A 18 5.044 9.385 -1.808 1.00 0.00 H new ATOM 122 N HIS A 19 5.134 6.526 3.281 1.00 0.00 N ATOM 123 CA HIS A 19 4.332 5.833 4.287 1.00 0.00 C ATOM 124 C HIS A 19 5.157 5.231 5.423 1.00 0.00 C ATOM 125 O HIS A 19 4.731 4.227 5.988 1.00 0.00 O ATOM 126 CB HIS A 19 3.532 4.732 3.587 1.00 0.00 C ATOM 127 CG HIS A 19 2.581 5.254 2.552 1.00 0.00 C ATOM 128 ND1 HIS A 19 1.424 5.944 2.817 1.00 0.00 N ATOM 129 CD2 HIS A 19 2.607 4.963 1.216 1.00 0.00 C ATOM 130 CE1 HIS A 19 0.751 6.045 1.661 1.00 0.00 C ATOM 131 NE2 HIS A 19 1.428 5.464 0.657 1.00 0.00 N ATOM 0 H HIS A 19 5.798 5.916 2.803 1.00 0.00 H new ATOM 0 HA HIS A 19 3.678 6.571 4.751 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.224 4.034 3.115 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.972 4.169 4.334 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.393 4.442 0.690 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.208 6.529 1.552 1.00 0.00 H new ATOM 0 HE2 HIS A 19 1.139 5.401 -0.319 1.00 0.00 H new ATOM 132 N ALA A 20 6.304 5.817 5.780 1.00 0.00 N ATOM 133 CA ALA A 20 7.141 5.407 6.907 1.00 0.00 C ATOM 134 C ALA A 20 6.322 4.808 8.061 1.00 0.00 C ATOM 135 O ALA A 20 5.374 5.426 8.546 1.00 0.00 O ATOM 136 CB ALA A 20 7.964 6.605 7.387 1.00 0.00 C ATOM 0 H ALA A 20 6.686 6.616 5.274 1.00 0.00 H new ATOM 0 HA ALA A 20 7.807 4.617 6.562 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.589 6.304 8.227 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.596 6.962 6.574 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.293 7.404 7.702 1.00 0.00 H new ATOM 137 N GLY A 21 6.638 3.568 8.449 1.00 0.00 N ATOM 138 CA GLY A 21 5.725 2.751 9.233 1.00 0.00 C ATOM 139 C GLY A 21 4.526 2.407 8.350 1.00 0.00 C ATOM 140 O GLY A 21 4.650 1.567 7.465 1.00 0.00 O ATOM 0 H GLY A 21 7.524 3.113 8.229 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.222 1.842 9.572 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.401 3.289 10.124 1.00 0.00 H new ATOM 141 N GLY A 22 3.402 3.096 8.558 1.00 0.00 N ATOM 142 CA GLY A 22 2.270 3.145 7.633 1.00 0.00 C ATOM 143 C GLY A 22 1.760 4.584 7.553 1.00 0.00 C ATOM 144 O GLY A 22 0.556 4.819 7.438 1.00 0.00 O ATOM 0 H GLY A 22 3.251 3.651 9.400 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.574 2.797 6.646 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.475 2.481 7.974 1.00 0.00 H new ATOM 145 N GLY A 23 2.686 5.541 7.681 1.00 0.00 N ATOM 146 CA GLY A 23 2.413 6.923 8.026 1.00 0.00 C ATOM 147 C GLY A 23 2.513 7.843 6.824 1.00 0.00 C ATOM 148 O GLY A 23 3.585 8.368 6.541 1.00 0.00 O ATOM 0 H GLY A 23 3.680 5.358 7.540 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.415 6.998 8.457 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.116 7.250 8.792 1.00 0.00 H new ATOM 149 N ASN A 24 1.387 8.038 6.136 1.00 0.00 N ATOM 150 CA ASN A 24 1.275 8.941 5.000 1.00 0.00 C ATOM 151 C ASN A 24 1.780 10.345 5.339 1.00 0.00 C ATOM 152 O ASN A 24 1.088 11.101 6.011 1.00 0.00 O ATOM 153 CB ASN A 24 -0.176 9.010 4.550 1.00 0.00 C ATOM 154 CG ASN A 24 -0.263 9.609 3.154 1.00 0.00 C ATOM 155 OD1 ASN A 24 0.407 10.582 2.814 1.00 0.00 O ATOM 156 ND2 ASN A 24 -1.050 8.963 2.312 1.00 0.00 N ATOM 0 H ASN A 24 0.513 7.562 6.361 1.00 0.00 H new ATOM 0 HA ASN A 24 1.898 8.551 4.196 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.614 8.012 4.554 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.754 9.614 5.250 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.117 9.268 1.341 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.590 8.160 2.633 1.00 0.00 H new ATOM 157 N ASN A 25 2.969 10.711 4.863 1.00 0.00 N ATOM 158 CA ASN A 25 3.556 12.024 5.102 1.00 0.00 C ATOM 159 C ASN A 25 3.173 13.046 4.025 1.00 0.00 C ATOM 160 O ASN A 25 3.660 14.174 4.078 1.00 0.00 O ATOM 161 CB ASN A 25 5.076 11.906 5.311 1.00 0.00 C ATOM 162 CG ASN A 25 5.857 11.435 4.083 1.00 0.00 C ATOM 163 OD1 ASN A 25 5.574 11.834 2.959 1.00 0.00 O ATOM 164 ND2 ASN A 25 6.864 10.590 4.295 1.00 0.00 N ATOM 0 H ASN A 25 3.555 10.098 4.296 1.00 0.00 H new ATOM 0 HA ASN A 25 3.132 12.417 6.026 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.463 12.877 5.620 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.263 11.213 6.131 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.424 10.257 3.510 1.00 0.00 H new ATOM 0 HD22 ASN A 25 7.075 10.276 5.242 1.00 0.00 H new ATOM 165 N VAL A 26 2.298 12.687 3.075 1.00 0.00 N ATOM 166 CA VAL A 26 1.875 13.568 1.992 1.00 0.00 C ATOM 167 C VAL A 26 0.457 14.084 2.257 1.00 0.00 C ATOM 168 O VAL A 26 0.258 15.290 2.385 1.00 0.00 O ATOM 169 CB VAL A 26 1.983 12.829 0.652 1.00 0.00 C ATOM 170 CG1 VAL A 26 1.608 13.749 -0.514 1.00 0.00 C ATOM 171 CG2 VAL A 26 3.399 12.301 0.421 1.00 0.00 C ATOM 0 H VAL A 26 1.863 11.765 3.042 1.00 0.00 H new ATOM 0 HA VAL A 26 2.531 14.437 1.943 1.00 0.00 H new ATOM 0 HB VAL A 26 1.288 11.991 0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.693 13.201 -1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.582 14.096 -0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.281 14.606 -0.532 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.442 11.782 -0.537 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.102 13.134 0.415 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.664 11.609 1.220 1.00 0.00 H new ATOM 172 N ILE A 27 -0.524 13.179 2.336 1.00 0.00 N ATOM 173 CA ILE A 27 -1.883 13.474 2.779 1.00 0.00 C ATOM 174 C ILE A 27 -2.022 12.837 4.174 1.00 0.00 C ATOM 175 O ILE A 27 -2.260 11.631 4.256 1.00 0.00 O ATOM 176 CB ILE A 27 -2.928 12.959 1.763 1.00 0.00 C ATOM 177 CG1 ILE A 27 -2.692 13.549 0.352 1.00 0.00 C ATOM 178 CG2 ILE A 27 -4.325 13.326 2.297 1.00 0.00 C ATOM 179 CD1 ILE A 27 -3.769 13.141 -0.660 1.00 0.00 C ATOM 0 H ILE A 27 -0.388 12.199 2.087 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.069 14.546 2.841 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.839 11.878 1.658 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.660 14.636 0.420 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.718 13.224 -0.013 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.085 12.974 1.599 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.478 12.855 3.268 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.402 14.408 2.402 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.545 13.587 -1.629 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.786 12.055 -0.756 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.743 13.490 -0.316 1.00 0.00 H new ATOM 180 N PRO A 28 -1.809 13.610 5.258 1.00 0.00 N ATOM 181 CA PRO A 28 -1.540 13.117 6.606 1.00 0.00 C ATOM 182 C PRO A 28 -2.359 11.909 7.061 1.00 0.00 C ATOM 183 O PRO A 28 -1.814 10.960 7.621 1.00 0.00 O ATOM 184 CB PRO A 28 -1.766 14.317 7.527 1.00 0.00 C ATOM 185 CG PRO A 28 -1.288 15.480 6.663 1.00 0.00 C ATOM 186 CD PRO A 28 -1.725 15.067 5.257 1.00 0.00 C ATOM 0 HA PRO A 28 -0.522 12.728 6.633 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.814 14.423 7.809 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -1.194 14.234 8.451 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.744 16.422 6.967 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.208 15.613 6.727 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.688 15.511 5.005 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.009 15.413 4.511 1.00 0.00 H new ATOM 187 N ASP A 29 -3.676 11.975 6.879 1.00 0.00 N ATOM 188 CA ASP A 29 -4.648 11.052 7.433 1.00 0.00 C ATOM 189 C ASP A 29 -4.902 9.844 6.527 1.00 0.00 C ATOM 190 O ASP A 29 -5.433 8.843 7.005 1.00 0.00 O ATOM 191 CB ASP A 29 -5.942 11.823 7.737 1.00 0.00 C ATOM 192 CG ASP A 29 -6.544 12.516 6.516 1.00 0.00 C ATOM 193 OD1 ASP A 29 -5.745 13.075 5.726 1.00 0.00 O ATOM 194 OD2 ASP A 29 -7.788 12.517 6.426 1.00 0.00 O ATOM 0 H ASP A 29 -4.108 12.708 6.316 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.246 10.636 8.357 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.677 11.133 8.151 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.738 12.570 8.504 1.00 0.00 H new ATOM 195 N HIS A 30 -4.480 9.875 5.258 1.00 0.00 N ATOM 196 CA HIS A 30 -4.635 8.747 4.335 1.00 0.00 C ATOM 197 C HIS A 30 -3.549 7.689 4.630 1.00 0.00 C ATOM 198 O HIS A 30 -2.758 7.314 3.762 1.00 0.00 O ATOM 199 CB HIS A 30 -4.627 9.280 2.885 1.00 0.00 C ATOM 200 CG HIS A 30 -5.936 9.178 2.130 1.00 0.00 C ATOM 201 ND1 HIS A 30 -6.254 8.220 1.191 1.00 0.00 N ATOM 202 CD2 HIS A 30 -6.856 10.184 1.989 1.00 0.00 C ATOM 203 CE1 HIS A 30 -7.291 8.667 0.469 1.00 0.00 C ATOM 204 NE2 HIS A 30 -7.705 9.860 0.927 1.00 0.00 N ATOM 0 H HIS A 30 -4.021 10.685 4.842 1.00 0.00 H new ATOM 0 HA HIS A 30 -5.591 8.242 4.473 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.324 10.327 2.906 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -3.865 8.739 2.325 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.915 11.076 2.595 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -7.732 8.141 -0.365 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -8.482 10.417 0.572 1.00 0.00 H new ATOM 205 N THR A 31 -3.474 7.239 5.885 1.00 0.00 N ATOM 206 CA THR A 31 -2.471 6.309 6.382 1.00 0.00 C ATOM 207 C THR A 31 -2.803 4.881 5.947 1.00 0.00 C ATOM 208 O THR A 31 -3.845 4.626 5.356 1.00 0.00 O ATOM 209 CB THR A 31 -2.428 6.419 7.910 1.00 0.00 C ATOM 210 OG1 THR A 31 -3.721 6.164 8.416 1.00 0.00 O ATOM 211 CG2 THR A 31 -1.983 7.809 8.372 1.00 0.00 C ATOM 0 H THR A 31 -4.137 7.526 6.605 1.00 0.00 H new ATOM 0 HA THR A 31 -1.493 6.557 5.969 1.00 0.00 H new ATOM 0 HB THR A 31 -1.705 5.693 8.283 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.657 5.567 9.191 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.967 7.842 9.461 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.985 8.018 7.988 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.680 8.558 7.996 1.00 0.00 H new ATOM 212 N LEU A 32 -1.929 3.921 6.265 1.00 0.00 N ATOM 213 CA LEU A 32 -2.145 2.532 5.874 1.00 0.00 C ATOM 214 C LEU A 32 -2.883 1.725 6.951 1.00 0.00 C ATOM 215 O LEU A 32 -2.858 0.493 6.918 1.00 0.00 O ATOM 216 CB LEU A 32 -0.806 1.882 5.513 1.00 0.00 C ATOM 217 CG LEU A 32 0.028 2.671 4.492 1.00 0.00 C ATOM 218 CD1 LEU A 32 1.199 1.804 4.029 1.00 0.00 C ATOM 219 CD2 LEU A 32 -0.778 3.070 3.256 1.00 0.00 C ATOM 0 H LEU A 32 -1.070 4.083 6.790 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.792 2.530 4.997 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.220 1.757 6.423 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.995 0.885 5.116 1.00 0.00 H new ATOM 0 HG LEU A 32 0.366 3.581 4.988 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.796 2.357 3.304 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.819 1.543 4.886 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.817 0.894 3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.139 3.625 2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.152 2.174 2.761 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.618 3.696 3.556 1.00 0.00 H new ATOM 220 N GLN A 33 -3.539 2.377 7.915 1.00 0.00 N ATOM 221 CA GLN A 33 -4.360 1.661 8.885 1.00 0.00 C ATOM 222 C GLN A 33 -5.574 1.056 8.182 1.00 0.00 C ATOM 223 O GLN A 33 -6.138 1.679 7.285 1.00 0.00 O ATOM 224 CB GLN A 33 -4.844 2.598 9.999 1.00 0.00 C ATOM 225 CG GLN A 33 -3.818 2.796 11.116 1.00 0.00 C ATOM 226 CD GLN A 33 -2.606 3.609 10.673 1.00 0.00 C ATOM 227 OE1 GLN A 33 -2.705 4.820 10.519 1.00 0.00 O ATOM 228 NE2 GLN A 33 -1.458 2.971 10.464 1.00 0.00 N ATOM 0 H GLN A 33 -3.516 3.389 8.041 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.750 0.875 9.330 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.090 3.568 9.566 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -5.763 2.197 10.427 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.297 3.297 11.957 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.485 1.822 11.473 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.403 1.962 10.600 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.632 3.491 10.168 1.00 0.00 H new ATOM 229 N LYS A 34 -6.034 -0.110 8.653 1.00 0.00 N ATOM 230 CA LYS A 34 -7.302 -0.692 8.235 1.00 0.00 C ATOM 231 C LYS A 34 -8.379 0.394 8.191 1.00 0.00 C ATOM 232 O LYS A 34 -8.951 0.676 7.146 1.00 0.00 O ATOM 233 CB LYS A 34 -7.682 -1.804 9.209 1.00 0.00 C ATOM 234 CG LYS A 34 -8.889 -2.577 8.677 1.00 0.00 C ATOM 235 CD LYS A 34 -9.266 -3.625 9.718 1.00 0.00 C ATOM 236 CE LYS A 34 -10.432 -4.522 9.271 1.00 0.00 C ATOM 237 NZ LYS A 34 -11.687 -3.777 9.022 1.00 0.00 N ATOM 0 H LYS A 34 -5.530 -0.674 9.338 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.210 -1.117 7.235 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.839 -2.481 9.348 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.914 -1.379 10.186 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.725 -1.902 8.494 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.649 -3.052 7.726 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.397 -4.247 9.931 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.535 -3.125 10.648 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.146 -5.051 8.362 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.613 -5.278 10.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.432 -4.131 9.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.531 -2.765 9.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.980 -3.911 8.033 1.00 0.00 H new ATOM 238 N ALA A 35 -8.603 1.041 9.335 1.00 0.00 N ATOM 239 CA ALA A 35 -9.577 2.114 9.476 1.00 0.00 C ATOM 240 C ALA A 35 -9.358 3.253 8.472 1.00 0.00 C ATOM 241 O ALA A 35 -10.320 3.893 8.048 1.00 0.00 O ATOM 242 CB ALA A 35 -9.525 2.655 10.907 1.00 0.00 C ATOM 0 H ALA A 35 -8.104 0.829 10.199 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.561 1.696 9.262 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.252 3.459 11.019 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -9.759 1.854 11.608 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.526 3.038 11.115 1.00 0.00 H new ATOM 243 N ALA A 36 -8.106 3.543 8.109 1.00 0.00 N ATOM 244 CA ALA A 36 -7.811 4.654 7.213 1.00 0.00 C ATOM 245 C ALA A 36 -8.242 4.255 5.808 1.00 0.00 C ATOM 246 O ALA A 36 -9.005 4.963 5.156 1.00 0.00 O ATOM 247 CB ALA A 36 -6.330 5.012 7.279 1.00 0.00 C ATOM 0 H ALA A 36 -7.286 3.024 8.423 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.360 5.547 7.512 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.126 5.843 6.604 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.070 5.300 8.298 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.734 4.149 6.982 1.00 0.00 H new ATOM 248 N ILE A 37 -7.843 3.045 5.411 1.00 0.00 N ATOM 249 CA ILE A 37 -8.310 2.441 4.179 1.00 0.00 C ATOM 250 C ILE A 37 -9.837 2.442 4.137 1.00 0.00 C ATOM 251 O ILE A 37 -10.416 2.940 3.177 1.00 0.00 O ATOM 252 CB ILE A 37 -7.701 1.036 4.035 1.00 0.00 C ATOM 253 CG1 ILE A 37 -6.348 1.098 3.328 1.00 0.00 C ATOM 254 CG2 ILE A 37 -8.615 0.094 3.257 1.00 0.00 C ATOM 255 CD1 ILE A 37 -5.330 0.151 3.971 1.00 0.00 C ATOM 0 H ILE A 37 -7.190 2.465 5.938 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.979 3.025 3.321 1.00 0.00 H new ATOM 0 HB ILE A 37 -7.575 0.649 5.046 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.474 0.838 2.277 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.967 2.119 3.360 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -8.146 -0.887 3.179 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.568 -0.000 3.777 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.785 0.495 2.258 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -4.380 0.223 3.441 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -5.185 0.428 5.015 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.700 -0.873 3.915 1.00 0.00 H new ATOM 256 N GLU A 38 -10.500 1.866 5.138 1.00 0.00 N ATOM 257 CA GLU A 38 -11.925 1.622 5.037 1.00 0.00 C ATOM 258 C GLU A 38 -12.727 2.919 4.923 1.00 0.00 C ATOM 259 O GLU A 38 -13.760 2.944 4.259 1.00 0.00 O ATOM 260 CB GLU A 38 -12.388 0.743 6.205 1.00 0.00 C ATOM 261 CG GLU A 38 -11.780 -0.648 6.008 1.00 0.00 C ATOM 262 CD GLU A 38 -12.147 -1.656 7.080 1.00 0.00 C ATOM 263 OE1 GLU A 38 -12.067 -1.330 8.286 1.00 0.00 O ATOM 264 OE2 GLU A 38 -12.371 -2.835 6.724 1.00 0.00 O ATOM 0 H GLU A 38 -10.074 1.565 6.015 1.00 0.00 H new ATOM 0 HA GLU A 38 -12.117 1.080 4.111 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.068 1.170 7.156 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.476 0.685 6.232 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.098 -1.035 5.040 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.695 -0.554 5.973 1.00 0.00 H new ATOM 265 N GLN A 39 -12.260 3.991 5.565 1.00 0.00 N ATOM 266 CA GLN A 39 -12.819 5.315 5.365 1.00 0.00 C ATOM 267 C GLN A 39 -12.493 5.831 3.964 1.00 0.00 C ATOM 268 O GLN A 39 -13.391 6.163 3.193 1.00 0.00 O ATOM 269 CB GLN A 39 -12.243 6.261 6.421 1.00 0.00 C ATOM 270 CG GLN A 39 -12.815 5.926 7.797 1.00 0.00 C ATOM 271 CD GLN A 39 -12.134 6.737 8.890 1.00 0.00 C ATOM 272 OE1 GLN A 39 -12.715 7.661 9.451 1.00 0.00 O ATOM 273 NE2 GLN A 39 -10.893 6.387 9.205 1.00 0.00 N ATOM 0 H GLN A 39 -11.489 3.960 6.232 1.00 0.00 H new ATOM 0 HA GLN A 39 -13.903 5.267 5.464 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -11.156 6.178 6.441 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.479 7.293 6.162 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -13.886 6.126 7.807 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.688 4.862 7.997 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.442 5.613 8.717 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.390 6.892 9.935 1.00 0.00 H new ATOM 274 N PHE A 40 -11.200 5.978 3.681 1.00 0.00 N ATOM 275 CA PHE A 40 -10.727 6.811 2.583 1.00 0.00 C ATOM 276 C PHE A 40 -10.663 6.069 1.244 1.00 0.00 C ATOM 277 O PHE A 40 -11.029 6.639 0.218 1.00 0.00 O ATOM 278 CB PHE A 40 -9.393 7.461 2.972 1.00 0.00 C ATOM 279 CG PHE A 40 -9.430 8.225 4.284 1.00 0.00 C ATOM 280 CD1 PHE A 40 -10.343 9.284 4.453 1.00 0.00 C ATOM 281 CD2 PHE A 40 -8.511 7.930 5.306 1.00 0.00 C ATOM 282 CE1 PHE A 40 -10.345 10.031 5.644 1.00 0.00 C ATOM 283 CE2 PHE A 40 -8.549 8.643 6.516 1.00 0.00 C ATOM 284 CZ PHE A 40 -9.448 9.711 6.675 1.00 0.00 C ATOM 0 H PHE A 40 -10.454 5.523 4.207 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.460 7.601 2.417 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.630 6.686 3.038 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.088 8.142 2.177 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -11.043 9.523 3.666 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -7.774 7.154 5.161 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.037 10.851 5.766 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.887 8.370 7.324 1.00 0.00 H new ATOM 0 HZ PHE A 40 -9.449 10.285 7.590 1.00 0.00 H new ATOM 285 N LEU A 41 -10.195 4.819 1.218 1.00 0.00 N ATOM 286 CA LEU A 41 -10.077 4.044 0.001 1.00 0.00 C ATOM 287 C LEU A 41 -11.430 3.768 -0.654 1.00 0.00 C ATOM 288 O LEU A 41 -12.222 2.971 -0.149 1.00 0.00 O ATOM 289 CB LEU A 41 -9.329 2.743 0.285 1.00 0.00 C ATOM 290 CG LEU A 41 -8.543 2.301 -0.953 1.00 0.00 C ATOM 291 CD1 LEU A 41 -7.479 3.349 -1.289 1.00 0.00 C ATOM 292 CD2 LEU A 41 -7.844 0.999 -0.602 1.00 0.00 C ATOM 0 H LEU A 41 -9.887 4.321 2.053 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.507 4.638 -0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.649 2.883 1.125 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.036 1.965 0.573 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.211 2.180 -1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.921 3.032 -2.170 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.961 4.306 -1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.796 3.457 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.271 0.650 -1.461 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.171 1.163 0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.587 0.248 -0.332 1.00 0.00 H new ATOM 293 N ASP A 42 -11.635 4.347 -1.838 1.00 0.00 N ATOM 294 CA ASP A 42 -12.687 4.004 -2.785 1.00 0.00 C ATOM 295 C ASP A 42 -12.881 2.489 -2.875 1.00 0.00 C ATOM 296 O ASP A 42 -14.001 1.990 -2.807 1.00 0.00 O ATOM 297 CB ASP A 42 -12.359 4.616 -4.163 1.00 0.00 C ATOM 298 CG ASP A 42 -11.009 4.216 -4.760 1.00 0.00 C ATOM 299 OD1 ASP A 42 -10.079 3.886 -3.986 1.00 0.00 O ATOM 300 OD2 ASP A 42 -10.852 4.310 -5.995 1.00 0.00 O ATOM 0 H ASP A 42 -11.041 5.104 -2.175 1.00 0.00 H new ATOM 0 HA ASP A 42 -13.630 4.422 -2.433 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -13.144 4.331 -4.863 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -12.389 5.702 -4.075 1.00 0.00 H new ATOM 301 N GLY A 43 -11.778 1.756 -3.024 1.00 0.00 N ATOM 302 CA GLY A 43 -11.812 0.307 -3.166 1.00 0.00 C ATOM 303 C GLY A 43 -12.135 -0.471 -1.877 1.00 0.00 C ATOM 304 O GLY A 43 -12.432 -1.665 -1.956 1.00 0.00 O ATOM 0 H GLY A 43 -10.839 2.153 -3.049 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -12.554 0.049 -3.922 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.845 -0.028 -3.541 1.00 0.00 H new ATOM 305 N GLY A 44 -12.073 0.146 -0.690 1.00 0.00 N ATOM 306 CA GLY A 44 -12.314 -0.546 0.569 1.00 0.00 C ATOM 307 C GLY A 44 -11.175 -1.500 0.942 1.00 0.00 C ATOM 308 O GLY A 44 -10.206 -1.670 0.203 1.00 0.00 O ATOM 0 H GLY A 44 -11.854 1.136 -0.582 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -12.444 0.188 1.364 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -13.246 -1.108 0.499 1.00 0.00 H new ATOM 309 N PHE A 45 -11.285 -2.121 2.120 1.00 0.00 N ATOM 310 CA PHE A 45 -10.269 -3.035 2.645 1.00 0.00 C ATOM 311 C PHE A 45 -10.273 -4.367 1.894 1.00 0.00 C ATOM 312 O PHE A 45 -10.672 -5.395 2.440 1.00 0.00 O ATOM 313 CB PHE A 45 -10.404 -3.236 4.161 1.00 0.00 C ATOM 314 CG PHE A 45 -9.206 -3.889 4.825 1.00 0.00 C ATOM 315 CD1 PHE A 45 -7.994 -3.180 4.913 1.00 0.00 C ATOM 316 CD2 PHE A 45 -9.292 -5.185 5.364 1.00 0.00 C ATOM 317 CE1 PHE A 45 -6.842 -3.804 5.408 1.00 0.00 C ATOM 318 CE2 PHE A 45 -8.149 -5.793 5.915 1.00 0.00 C ATOM 319 CZ PHE A 45 -6.915 -5.117 5.893 1.00 0.00 C ATOM 0 H PHE A 45 -12.087 -2.002 2.739 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.299 -2.568 2.475 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.577 -2.266 4.628 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.287 -3.845 4.355 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.952 -2.148 4.597 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -10.234 -5.713 5.355 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.900 -3.275 5.416 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -8.219 -6.777 6.354 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.023 -5.610 6.250 1.00 0.00 H new ATOM 320 N ASN A 46 -9.799 -4.355 0.647 1.00 0.00 N ATOM 321 CA ASN A 46 -9.780 -5.524 -0.234 1.00 0.00 C ATOM 322 C ASN A 46 -8.393 -5.651 -0.868 1.00 0.00 C ATOM 323 O ASN A 46 -7.733 -4.636 -1.081 1.00 0.00 O ATOM 324 CB ASN A 46 -10.885 -5.382 -1.288 1.00 0.00 C ATOM 325 CG ASN A 46 -12.274 -5.297 -0.661 1.00 0.00 C ATOM 326 OD1 ASN A 46 -12.758 -6.258 -0.074 1.00 0.00 O ATOM 327 ND2 ASN A 46 -12.935 -4.145 -0.754 1.00 0.00 N ATOM 0 H ASN A 46 -9.411 -3.518 0.213 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.975 -6.436 0.330 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.703 -4.488 -1.885 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.847 -6.233 -1.968 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -13.859 -4.052 -0.333 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.517 -3.355 -1.246 1.00 0.00 H new ATOM 328 N ILE A 47 -7.919 -6.867 -1.163 1.00 0.00 N ATOM 329 CA ILE A 47 -6.581 -7.055 -1.708 1.00 0.00 C ATOM 330 C ILE A 47 -6.562 -6.386 -3.076 1.00 0.00 C ATOM 331 O ILE A 47 -5.714 -5.542 -3.346 1.00 0.00 O ATOM 332 CB ILE A 47 -6.245 -8.558 -1.784 1.00 0.00 C ATOM 333 CG1 ILE A 47 -5.932 -9.147 -0.398 1.00 0.00 C ATOM 334 CG2 ILE A 47 -5.094 -8.838 -2.758 1.00 0.00 C ATOM 335 CD1 ILE A 47 -4.509 -8.846 0.089 1.00 0.00 C ATOM 0 H ILE A 47 -8.446 -7.731 -1.032 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.819 -6.605 -1.072 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.137 -9.054 -2.166 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.646 -8.752 0.325 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.075 -10.227 -0.430 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.889 -9.908 -2.781 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.372 -8.500 -3.756 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.202 -8.305 -2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.359 -9.292 1.072 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.788 -9.265 -0.613 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.367 -7.767 0.154 1.00 0.00 H new ATOM 336 N GLU A 48 -7.541 -6.741 -3.903 1.00 0.00 N ATOM 337 CA GLU A 48 -7.858 -6.133 -5.180 1.00 0.00 C ATOM 338 C GLU A 48 -7.679 -4.620 -5.103 1.00 0.00 C ATOM 339 O GLU A 48 -6.881 -4.043 -5.832 1.00 0.00 O ATOM 340 CB GLU A 48 -9.293 -6.486 -5.590 1.00 0.00 C ATOM 341 CG GLU A 48 -9.750 -7.906 -5.227 1.00 0.00 C ATOM 342 CD GLU A 48 -10.329 -8.041 -3.820 1.00 0.00 C ATOM 343 OE1 GLU A 48 -9.519 -8.228 -2.882 1.00 0.00 O ATOM 344 OE2 GLU A 48 -11.563 -7.904 -3.702 1.00 0.00 O ATOM 0 H GLU A 48 -8.171 -7.511 -3.679 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.176 -6.522 -5.936 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.972 -5.773 -5.123 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.387 -6.356 -6.668 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.501 -8.229 -5.948 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.902 -8.584 -5.325 1.00 0.00 H new ATOM 345 N ALA A 49 -8.422 -4.000 -4.186 1.00 0.00 N ATOM 346 CA ALA A 49 -8.363 -2.566 -3.926 1.00 0.00 C ATOM 347 C ALA A 49 -6.939 -2.079 -3.646 1.00 0.00 C ATOM 348 O ALA A 49 -6.483 -1.119 -4.270 1.00 0.00 O ATOM 349 CB ALA A 49 -9.292 -2.199 -2.771 1.00 0.00 C ATOM 0 H ALA A 49 -9.092 -4.491 -3.594 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.698 -2.061 -4.832 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.238 -1.126 -2.588 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.316 -2.473 -3.026 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.986 -2.736 -1.873 1.00 0.00 H new ATOM 350 N ILE A 50 -6.222 -2.713 -2.712 1.00 0.00 N ATOM 351 CA ILE A 50 -4.846 -2.338 -2.452 1.00 0.00 C ATOM 352 C ILE A 50 -4.043 -2.413 -3.758 1.00 0.00 C ATOM 353 O ILE A 50 -3.435 -1.426 -4.168 1.00 0.00 O ATOM 354 CB ILE A 50 -4.241 -3.214 -1.338 1.00 0.00 C ATOM 355 CG1 ILE A 50 -4.950 -3.113 0.027 1.00 0.00 C ATOM 356 CG2 ILE A 50 -2.767 -2.858 -1.173 1.00 0.00 C ATOM 357 CD1 ILE A 50 -5.149 -1.697 0.568 1.00 0.00 C ATOM 0 H ILE A 50 -6.574 -3.477 -2.135 1.00 0.00 H new ATOM 0 HA ILE A 50 -4.807 -1.310 -2.091 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.376 -4.246 -1.660 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -5.926 -3.591 -0.055 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.376 -3.684 0.757 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.330 -3.473 -0.386 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.242 -3.040 -2.110 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.675 -1.806 -0.904 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.657 -1.744 1.532 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.179 -1.215 0.692 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.753 -1.121 -0.133 1.00 0.00 H new ATOM 358 N VAL A 51 -4.037 -3.568 -4.425 1.00 0.00 N ATOM 359 CA VAL A 51 -3.260 -3.775 -5.627 1.00 0.00 C ATOM 360 C VAL A 51 -3.575 -2.666 -6.644 1.00 0.00 C ATOM 361 O VAL A 51 -2.670 -1.988 -7.120 1.00 0.00 O ATOM 362 CB VAL A 51 -3.541 -5.186 -6.174 1.00 0.00 C ATOM 363 CG1 VAL A 51 -2.690 -5.398 -7.416 1.00 0.00 C ATOM 364 CG2 VAL A 51 -3.157 -6.313 -5.205 1.00 0.00 C ATOM 0 H VAL A 51 -4.577 -4.384 -4.137 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.193 -3.715 -5.413 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.614 -5.233 -6.358 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.876 -6.394 -7.819 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.948 -4.650 -8.166 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.636 -5.303 -7.155 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.384 -7.277 -5.660 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.091 -6.257 -4.986 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.723 -6.206 -4.280 1.00 0.00 H new ATOM 365 N TYR A 52 -4.863 -2.441 -6.915 1.00 0.00 N ATOM 366 CA TYR A 52 -5.378 -1.367 -7.759 1.00 0.00 C ATOM 367 C TYR A 52 -4.734 -0.017 -7.427 1.00 0.00 C ATOM 368 O TYR A 52 -4.298 0.691 -8.337 1.00 0.00 O ATOM 369 CB TYR A 52 -6.911 -1.327 -7.631 1.00 0.00 C ATOM 370 CG TYR A 52 -7.582 0.023 -7.820 1.00 0.00 C ATOM 371 CD1 TYR A 52 -7.828 0.533 -9.108 1.00 0.00 C ATOM 372 CD2 TYR A 52 -8.053 0.724 -6.693 1.00 0.00 C ATOM 373 CE1 TYR A 52 -8.575 1.717 -9.264 1.00 0.00 C ATOM 374 CE2 TYR A 52 -8.812 1.892 -6.851 1.00 0.00 C ATOM 375 CZ TYR A 52 -9.094 2.379 -8.138 1.00 0.00 C ATOM 376 OH TYR A 52 -9.861 3.496 -8.296 1.00 0.00 O ATOM 0 H TYR A 52 -5.605 -3.029 -6.535 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.114 -1.570 -8.797 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -7.330 -2.019 -8.361 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -7.179 -1.704 -6.644 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.445 0.017 -9.976 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.828 0.360 -5.701 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -8.749 2.117 -10.252 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -9.180 2.418 -5.982 1.00 0.00 H new ATOM 0 HH TYR A 52 -10.216 3.775 -7.426 1.00 0.00 H new ATOM 377 N GLN A 53 -4.674 0.347 -6.142 1.00 0.00 N ATOM 378 CA GLN A 53 -4.063 1.602 -5.721 1.00 0.00 C ATOM 379 C GLN A 53 -2.613 1.632 -6.216 1.00 0.00 C ATOM 380 O GLN A 53 -2.202 2.561 -6.912 1.00 0.00 O ATOM 381 CB GLN A 53 -4.150 1.731 -4.189 1.00 0.00 C ATOM 382 CG GLN A 53 -3.455 2.976 -3.617 1.00 0.00 C ATOM 383 CD GLN A 53 -4.339 4.208 -3.499 1.00 0.00 C ATOM 384 OE1 GLN A 53 -5.540 4.162 -3.758 1.00 0.00 O ATOM 385 NE2 GLN A 53 -3.744 5.320 -3.092 1.00 0.00 N ATOM 0 H GLN A 53 -5.044 -0.216 -5.376 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.592 2.453 -6.151 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.200 1.750 -3.897 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.709 0.843 -3.736 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.062 2.733 -2.630 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -2.601 3.219 -4.249 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.745 5.318 -2.887 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -4.285 6.178 -2.984 1.00 0.00 H new ATOM 386 N ILE A 54 -1.847 0.605 -5.842 1.00 0.00 N ATOM 387 CA ILE A 54 -0.426 0.502 -6.142 1.00 0.00 C ATOM 388 C ILE A 54 -0.186 0.527 -7.656 1.00 0.00 C ATOM 389 O ILE A 54 0.664 1.275 -8.135 1.00 0.00 O ATOM 390 CB ILE A 54 0.157 -0.754 -5.462 1.00 0.00 C ATOM 391 CG1 ILE A 54 0.509 -0.502 -3.986 1.00 0.00 C ATOM 392 CG2 ILE A 54 1.453 -1.226 -6.136 1.00 0.00 C ATOM 393 CD1 ILE A 54 -0.719 -0.410 -3.085 1.00 0.00 C ATOM 0 H ILE A 54 -2.207 -0.189 -5.313 1.00 0.00 H new ATOM 0 HA ILE A 54 0.099 1.367 -5.737 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.625 -1.508 -5.552 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.154 -1.306 -3.630 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.080 0.423 -3.908 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.827 -2.112 -5.624 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.253 -1.467 -7.180 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.200 -0.434 -6.083 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.403 -0.232 -2.057 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.354 0.411 -3.418 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.278 -1.344 -3.136 1.00 0.00 H new ATOM 394 N GLU A 55 -0.926 -0.283 -8.414 1.00 0.00 N ATOM 395 CA GLU A 55 -0.880 -0.277 -9.855 1.00 0.00 C ATOM 396 C GLU A 55 -1.061 1.152 -10.360 1.00 0.00 C ATOM 397 O GLU A 55 -0.147 1.715 -10.958 1.00 0.00 O ATOM 398 CB GLU A 55 -2.040 -1.118 -10.379 1.00 0.00 C ATOM 399 CG GLU A 55 -1.920 -2.640 -10.381 1.00 0.00 C ATOM 400 CD GLU A 55 -3.241 -3.253 -10.857 1.00 0.00 C ATOM 401 OE1 GLU A 55 -4.153 -2.468 -11.216 1.00 0.00 O ATOM 402 OE2 GLU A 55 -3.318 -4.499 -10.845 1.00 0.00 O ATOM 0 H GLU A 55 -1.578 -0.966 -8.028 1.00 0.00 H new ATOM 0 HA GLU A 55 0.075 -0.676 -10.196 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.922 -0.860 -9.793 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.235 -0.804 -11.404 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.105 -2.951 -11.035 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.680 -2.998 -9.380 1.00 0.00 H new ATOM 403 N ASN A 56 -2.263 1.698 -10.153 1.00 0.00 N ATOM 404 CA ASN A 56 -2.819 2.739 -11.000 1.00 0.00 C ATOM 405 C ASN A 56 -2.491 4.140 -10.490 1.00 0.00 C ATOM 406 O ASN A 56 -2.529 5.089 -11.270 1.00 0.00 O ATOM 407 CB ASN A 56 -4.332 2.511 -11.154 1.00 0.00 C ATOM 408 CG ASN A 56 -4.627 1.170 -11.826 1.00 0.00 C ATOM 409 OD1 ASN A 56 -4.617 1.065 -13.049 1.00 0.00 O ATOM 410 ND2 ASN A 56 -4.850 0.135 -11.022 1.00 0.00 N ATOM 0 H ASN A 56 -2.876 1.423 -9.386 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.354 2.675 -11.984 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.808 2.541 -10.174 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.765 3.319 -11.744 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.021 -0.790 -11.417 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.850 0.266 -10.010 1.00 0.00 H new ATOM 411 N GLY A 57 -2.144 4.280 -9.208 1.00 0.00 N ATOM 412 CA GLY A 57 -1.744 5.562 -8.644 1.00 0.00 C ATOM 413 C GLY A 57 -2.949 6.454 -8.339 1.00 0.00 C ATOM 414 O GLY A 57 -4.047 6.243 -8.854 1.00 0.00 O ATOM 0 H GLY A 57 -2.134 3.510 -8.539 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.176 5.394 -7.729 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.081 6.074 -9.341 1.00 0.00 H new ATOM 415 N LYS A 58 -2.747 7.415 -7.435 1.00 0.00 N ATOM 416 CA LYS A 58 -3.802 8.148 -6.752 1.00 0.00 C ATOM 417 C LYS A 58 -3.351 9.571 -6.388 1.00 0.00 C ATOM 418 O LYS A 58 -2.313 10.042 -6.857 1.00 0.00 O ATOM 419 CB LYS A 58 -4.177 7.340 -5.499 1.00 0.00 C ATOM 420 CG LYS A 58 -5.684 7.086 -5.374 1.00 0.00 C ATOM 421 CD LYS A 58 -6.129 6.006 -6.366 1.00 0.00 C ATOM 422 CE LYS A 58 -7.579 5.536 -6.136 1.00 0.00 C ATOM 423 NZ LYS A 58 -7.829 5.083 -4.749 1.00 0.00 N ATOM 0 H LYS A 58 -1.812 7.710 -7.153 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.668 8.263 -7.403 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.654 6.384 -5.521 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.830 7.873 -4.614 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.924 6.775 -4.357 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.232 8.009 -5.562 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.035 6.392 -7.381 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.459 5.150 -6.287 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.261 6.352 -6.374 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.804 4.721 -6.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.491 4.281 -4.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.932 4.786 -4.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.239 5.863 -4.198 1.00 0.00 H new ATOM 424 N GLY A 59 -4.119 10.251 -5.527 1.00 0.00 N ATOM 425 CA GLY A 59 -3.796 11.589 -5.045 1.00 0.00 C ATOM 426 C GLY A 59 -2.370 11.631 -4.495 1.00 0.00 C ATOM 427 O GLY A 59 -2.038 10.904 -3.573 1.00 0.00 O ATOM 0 H GLY A 59 -4.989 9.879 -5.145 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.900 12.309 -5.857 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.501 11.881 -4.267 1.00 0.00 H new ATOM 428 N ALA A 60 -1.512 12.460 -5.089 1.00 0.00 N ATOM 429 CA ALA A 60 -0.075 12.522 -4.856 1.00 0.00 C ATOM 430 C ALA A 60 0.575 11.152 -4.598 1.00 0.00 C ATOM 431 O ALA A 60 1.488 11.054 -3.778 1.00 0.00 O ATOM 432 CB ALA A 60 0.203 13.532 -3.741 1.00 0.00 C ATOM 0 H ALA A 60 -1.820 13.142 -5.782 1.00 0.00 H new ATOM 0 HA ALA A 60 0.402 12.863 -5.775 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.276 13.586 -3.558 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.164 14.514 -4.040 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.305 13.217 -2.829 1.00 0.00 H new ATOM 433 N MET A 61 0.136 10.109 -5.316 1.00 0.00 N ATOM 434 CA MET A 61 0.683 8.764 -5.212 1.00 0.00 C ATOM 435 C MET A 61 1.027 8.246 -6.608 1.00 0.00 C ATOM 436 O MET A 61 0.111 8.038 -7.405 1.00 0.00 O ATOM 437 CB MET A 61 -0.319 7.824 -4.534 1.00 0.00 C ATOM 438 CG MET A 61 0.212 6.389 -4.591 1.00 0.00 C ATOM 439 SD MET A 61 -0.309 5.257 -3.281 1.00 0.00 S ATOM 440 CE MET A 61 0.021 3.682 -4.096 1.00 0.00 C ATOM 0 H MET A 61 -0.622 10.185 -5.994 1.00 0.00 H new ATOM 0 HA MET A 61 1.586 8.796 -4.603 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.474 8.125 -3.498 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.287 7.886 -5.032 1.00 0.00 H new ATOM 0 HG2 MET A 61 -0.085 5.958 -5.547 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.301 6.432 -4.585 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.358 2.867 -3.480 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.474 3.664 -5.067 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.095 3.562 -4.235 1.00 0.00 H new ATOM 441 N PRO A 62 2.312 8.005 -6.920 1.00 0.00 N ATOM 442 CA PRO A 62 2.700 7.497 -8.219 1.00 0.00 C ATOM 443 C PRO A 62 2.135 6.097 -8.455 1.00 0.00 C ATOM 444 O PRO A 62 1.990 5.300 -7.529 1.00 0.00 O ATOM 445 CB PRO A 62 4.230 7.505 -8.243 1.00 0.00 C ATOM 446 CG PRO A 62 4.631 7.476 -6.771 1.00 0.00 C ATOM 447 CD PRO A 62 3.479 8.195 -6.073 1.00 0.00 C ATOM 0 HA PRO A 62 2.300 8.116 -9.022 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.624 6.642 -8.780 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.615 8.394 -8.743 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.747 6.455 -6.407 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.581 7.984 -6.604 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.309 7.784 -5.078 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.700 9.255 -5.947 1.00 0.00 H new ATOM 448 N ALA A 63 1.839 5.818 -9.724 1.00 0.00 N ATOM 449 CA ALA A 63 1.422 4.519 -10.219 1.00 0.00 C ATOM 450 C ALA A 63 2.660 3.627 -10.328 1.00 0.00 C ATOM 451 O ALA A 63 3.724 4.116 -10.720 1.00 0.00 O ATOM 452 CB ALA A 63 0.774 4.754 -11.587 1.00 0.00 C ATOM 0 H ALA A 63 1.887 6.523 -10.460 1.00 0.00 H new ATOM 0 HA ALA A 63 0.708 4.026 -9.559 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.443 3.802 -12.001 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.083 5.418 -11.474 1.00 0.00 H new ATOM 0 HB3 ALA A 63 1.500 5.209 -12.260 1.00 0.00 H new ATOM 453 N TRP A 64 2.553 2.336 -10.001 1.00 0.00 N ATOM 454 CA TRP A 64 3.691 1.423 -9.985 1.00 0.00 C ATOM 455 C TRP A 64 3.582 0.374 -11.090 1.00 0.00 C ATOM 456 O TRP A 64 4.414 -0.536 -11.158 1.00 0.00 O ATOM 457 CB TRP A 64 3.842 0.817 -8.588 1.00 0.00 C ATOM 458 CG TRP A 64 4.209 1.815 -7.533 1.00 0.00 C ATOM 459 CD1 TRP A 64 3.373 2.558 -6.772 1.00 0.00 C ATOM 460 CD2 TRP A 64 5.547 2.268 -7.200 1.00 0.00 C ATOM 461 NE1 TRP A 64 4.109 3.401 -5.962 1.00 0.00 N ATOM 462 CE2 TRP A 64 5.464 3.266 -6.189 1.00 0.00 C ATOM 463 CE3 TRP A 64 6.825 1.947 -7.691 1.00 0.00 C ATOM 464 CZ2 TRP A 64 6.605 3.891 -5.665 1.00 0.00 C ATOM 465 CZ3 TRP A 64 7.975 2.592 -7.201 1.00 0.00 C ATOM 466 CH2 TRP A 64 7.868 3.547 -6.173 1.00 0.00 C ATOM 0 H TRP A 64 1.670 1.897 -9.740 1.00 0.00 H new ATOM 0 HA TRP A 64 4.604 1.977 -10.202 1.00 0.00 H new ATOM 0 HB2 TRP A 64 2.906 0.334 -8.308 1.00 0.00 H new ATOM 0 HB3 TRP A 64 4.605 0.039 -8.620 1.00 0.00 H new ATOM 0 HD1 TRP A 64 2.295 2.501 -6.794 1.00 0.00 H new ATOM 0 HE1 TRP A 64 3.702 4.043 -5.281 1.00 0.00 H new ATOM 0 HE3 TRP A 64 6.925 1.193 -8.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 6.513 4.628 -4.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 8.943 2.353 -7.615 1.00 0.00 H new ATOM 0 HH2 TRP A 64 8.756 4.015 -5.775 1.00 0.00 H new ATOM 467 N ASP A 65 2.598 0.524 -11.986 1.00 0.00 N ATOM 468 CA ASP A 65 2.410 -0.317 -13.137 1.00 0.00 C ATOM 469 C ASP A 65 3.732 -0.515 -13.886 1.00 0.00 C ATOM 470 O ASP A 65 4.404 0.441 -14.272 1.00 0.00 O ATOM 471 CB ASP A 65 1.313 0.288 -14.019 1.00 0.00 C ATOM 472 CG ASP A 65 1.669 1.664 -14.561 1.00 0.00 C ATOM 473 OD1 ASP A 65 1.514 2.630 -13.787 1.00 0.00 O ATOM 474 OD2 ASP A 65 2.173 1.765 -15.700 1.00 0.00 O ATOM 0 H ASP A 65 1.898 1.262 -11.912 1.00 0.00 H new ATOM 0 HA ASP A 65 2.086 -1.311 -12.829 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.116 -0.384 -14.854 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.391 0.359 -13.442 1.00 0.00 H new ATOM 475 N GLY A 66 4.150 -1.775 -14.007 1.00 0.00 N ATOM 476 CA GLY A 66 5.353 -2.177 -14.724 1.00 0.00 C ATOM 477 C GLY A 66 6.665 -1.671 -14.112 1.00 0.00 C ATOM 478 O GLY A 66 7.721 -1.893 -14.700 1.00 0.00 O ATOM 0 H GLY A 66 3.646 -2.562 -13.598 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.385 -3.266 -14.769 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.285 -1.817 -15.751 1.00 0.00 H new ATOM 479 N ARG A 67 6.629 -1.000 -12.956 1.00 0.00 N ATOM 480 CA ARG A 67 7.826 -0.567 -12.239 1.00 0.00 C ATOM 481 C ARG A 67 8.193 -1.622 -11.205 1.00 0.00 C ATOM 482 O ARG A 67 9.372 -1.901 -11.007 1.00 0.00 O ATOM 483 CB ARG A 67 7.585 0.811 -11.611 1.00 0.00 C ATOM 484 CG ARG A 67 7.574 1.861 -12.733 1.00 0.00 C ATOM 485 CD ARG A 67 6.498 2.934 -12.550 1.00 0.00 C ATOM 486 NE ARG A 67 6.068 3.426 -13.870 1.00 0.00 N ATOM 487 CZ ARG A 67 4.780 3.427 -14.248 1.00 0.00 C ATOM 488 NH1 ARG A 67 3.840 3.719 -13.352 1.00 0.00 N ATOM 489 NH2 ARG A 67 4.444 3.117 -15.503 1.00 0.00 N ATOM 0 H ARG A 67 5.759 -0.741 -12.490 1.00 0.00 H new ATOM 0 HA ARG A 67 8.668 -0.463 -12.924 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.637 0.822 -11.072 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.366 1.039 -10.886 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.551 2.341 -12.781 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.418 1.360 -13.688 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.647 2.522 -12.008 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.888 3.758 -11.952 1.00 0.00 H new ATOM 0 HE ARG A 67 6.772 3.778 -14.518 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.102 3.939 -12.391 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.858 3.723 -13.626 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.168 2.878 -16.180 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.463 3.120 -15.784 1.00 0.00 H new ATOM 490 N LEU A 68 7.177 -2.213 -10.576 1.00 0.00 N ATOM 491 CA LEU A 68 7.317 -3.405 -9.755 1.00 0.00 C ATOM 492 C LEU A 68 6.819 -4.602 -10.579 1.00 0.00 C ATOM 493 O LEU A 68 5.962 -4.420 -11.448 1.00 0.00 O ATOM 494 CB LEU A 68 6.507 -3.213 -8.465 1.00 0.00 C ATOM 495 CG LEU A 68 6.896 -1.964 -7.654 1.00 0.00 C ATOM 496 CD1 LEU A 68 5.934 -1.800 -6.473 1.00 0.00 C ATOM 497 CD2 LEU A 68 8.329 -2.010 -7.121 1.00 0.00 C ATOM 0 H LEU A 68 6.219 -1.867 -10.627 1.00 0.00 H new ATOM 0 HA LEU A 68 8.353 -3.586 -9.470 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.449 -3.152 -8.720 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.633 -4.094 -7.836 1.00 0.00 H new ATOM 0 HG LEU A 68 6.831 -1.117 -8.337 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.210 -0.915 -5.899 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.916 -1.688 -6.846 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.991 -2.680 -5.833 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.538 -1.100 -6.559 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.447 -2.875 -6.468 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.025 -2.089 -7.956 1.00 0.00 H new ATOM 498 N ASP A 69 7.344 -5.806 -10.330 1.00 0.00 N ATOM 499 CA ASP A 69 6.850 -7.040 -10.955 1.00 0.00 C ATOM 500 C ASP A 69 5.461 -7.379 -10.418 1.00 0.00 C ATOM 501 O ASP A 69 5.004 -6.827 -9.426 1.00 0.00 O ATOM 502 CB ASP A 69 7.825 -8.200 -10.709 1.00 0.00 C ATOM 503 CG ASP A 69 7.519 -9.497 -11.442 1.00 0.00 C ATOM 504 OD1 ASP A 69 6.613 -10.209 -10.950 1.00 0.00 O ATOM 505 OD2 ASP A 69 8.153 -9.734 -12.491 1.00 0.00 O ATOM 0 H ASP A 69 8.124 -5.954 -9.689 1.00 0.00 H new ATOM 0 HA ASP A 69 6.779 -6.882 -12.031 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.826 -7.873 -10.992 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.849 -8.408 -9.639 1.00 0.00 H new ATOM 506 N GLU A 70 4.806 -8.336 -11.055 1.00 0.00 N ATOM 507 CA GLU A 70 3.498 -8.829 -10.657 1.00 0.00 C ATOM 508 C GLU A 70 3.580 -9.444 -9.258 1.00 0.00 C ATOM 509 O GLU A 70 2.752 -9.148 -8.393 1.00 0.00 O ATOM 510 CB GLU A 70 2.990 -9.854 -11.680 1.00 0.00 C ATOM 511 CG GLU A 70 2.774 -9.226 -13.068 1.00 0.00 C ATOM 512 CD GLU A 70 2.167 -10.210 -14.065 1.00 0.00 C ATOM 513 OE1 GLU A 70 1.413 -11.099 -13.613 1.00 0.00 O ATOM 514 OE2 GLU A 70 2.455 -10.045 -15.270 1.00 0.00 O ATOM 0 H GLU A 70 5.178 -8.802 -11.882 1.00 0.00 H new ATOM 0 HA GLU A 70 2.791 -8.000 -10.627 1.00 0.00 H new ATOM 0 HB2 GLU A 70 3.706 -10.672 -11.760 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.053 -10.284 -11.327 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.120 -8.359 -12.974 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.728 -8.865 -13.453 1.00 0.00 H new ATOM 515 N ASP A 71 4.583 -10.297 -9.030 1.00 0.00 N ATOM 516 CA ASP A 71 4.747 -10.970 -7.745 1.00 0.00 C ATOM 517 C ASP A 71 5.007 -9.927 -6.662 1.00 0.00 C ATOM 518 O ASP A 71 4.354 -9.878 -5.623 1.00 0.00 O ATOM 519 CB ASP A 71 5.910 -11.960 -7.829 1.00 0.00 C ATOM 520 CG ASP A 71 6.056 -12.733 -6.526 1.00 0.00 C ATOM 521 OD1 ASP A 71 5.111 -13.485 -6.202 1.00 0.00 O ATOM 522 OD2 ASP A 71 7.110 -12.563 -5.880 1.00 0.00 O ATOM 0 H ASP A 71 5.293 -10.536 -9.722 1.00 0.00 H new ATOM 0 HA ASP A 71 3.840 -11.521 -7.495 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.744 -12.654 -8.653 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.835 -11.425 -8.045 1.00 0.00 H new ATOM 523 N GLU A 72 5.955 -9.047 -6.966 1.00 0.00 N ATOM 524 CA GLU A 72 6.355 -7.919 -6.158 1.00 0.00 C ATOM 525 C GLU A 72 5.136 -7.084 -5.728 1.00 0.00 C ATOM 526 O GLU A 72 4.846 -6.971 -4.536 1.00 0.00 O ATOM 527 CB GLU A 72 7.367 -7.153 -7.014 1.00 0.00 C ATOM 528 CG GLU A 72 8.111 -6.105 -6.229 1.00 0.00 C ATOM 529 CD GLU A 72 9.207 -5.442 -7.051 1.00 0.00 C ATOM 530 OE1 GLU A 72 9.116 -5.543 -8.294 1.00 0.00 O ATOM 531 OE2 GLU A 72 10.111 -4.854 -6.421 1.00 0.00 O ATOM 0 H GLU A 72 6.489 -9.112 -7.832 1.00 0.00 H new ATOM 0 HA GLU A 72 6.814 -8.213 -5.214 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.081 -7.856 -7.443 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.848 -6.678 -7.847 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.409 -5.346 -5.883 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.550 -6.561 -5.342 1.00 0.00 H new ATOM 532 N ILE A 73 4.403 -6.536 -6.703 1.00 0.00 N ATOM 533 CA ILE A 73 3.123 -5.842 -6.522 1.00 0.00 C ATOM 534 C ILE A 73 2.229 -6.639 -5.567 1.00 0.00 C ATOM 535 O ILE A 73 1.770 -6.130 -4.542 1.00 0.00 O ATOM 536 CB ILE A 73 2.416 -5.665 -7.886 1.00 0.00 C ATOM 537 CG1 ILE A 73 3.138 -4.698 -8.836 1.00 0.00 C ATOM 538 CG2 ILE A 73 0.954 -5.242 -7.738 1.00 0.00 C ATOM 539 CD1 ILE A 73 2.772 -3.219 -8.697 1.00 0.00 C ATOM 0 H ILE A 73 4.697 -6.565 -7.679 1.00 0.00 H new ATOM 0 HA ILE A 73 3.312 -4.857 -6.094 1.00 0.00 H new ATOM 0 HB ILE A 73 2.452 -6.657 -8.337 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.212 -4.802 -8.680 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.933 -5.007 -9.861 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.505 -5.132 -8.725 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.411 -6.001 -7.175 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.902 -4.291 -7.208 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.343 -2.634 -9.417 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.707 -3.088 -8.887 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.005 -2.880 -7.688 1.00 0.00 H new ATOM 540 N ALA A 74 1.959 -7.898 -5.914 1.00 0.00 N ATOM 541 CA ALA A 74 1.094 -8.747 -5.106 1.00 0.00 C ATOM 542 C ALA A 74 1.606 -8.856 -3.665 1.00 0.00 C ATOM 543 O ALA A 74 0.811 -8.836 -2.722 1.00 0.00 O ATOM 544 CB ALA A 74 0.952 -10.126 -5.757 1.00 0.00 C ATOM 0 H ALA A 74 2.329 -8.349 -6.751 1.00 0.00 H new ATOM 0 HA ALA A 74 0.107 -8.287 -5.059 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.303 -10.752 -5.145 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.518 -10.016 -6.751 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.934 -10.592 -5.840 1.00 0.00 H new ATOM 545 N GLY A 75 2.925 -8.952 -3.484 1.00 0.00 N ATOM 546 CA GLY A 75 3.531 -9.170 -2.188 1.00 0.00 C ATOM 547 C GLY A 75 3.383 -7.904 -1.363 1.00 0.00 C ATOM 548 O GLY A 75 2.965 -7.967 -0.213 1.00 0.00 O ATOM 0 H GLY A 75 3.600 -8.879 -4.245 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.052 -10.009 -1.683 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.584 -9.426 -2.302 1.00 0.00 H new ATOM 549 N VAL A 76 3.695 -6.745 -1.947 1.00 0.00 N ATOM 550 CA VAL A 76 3.564 -5.471 -1.256 1.00 0.00 C ATOM 551 C VAL A 76 2.104 -5.218 -0.868 1.00 0.00 C ATOM 552 O VAL A 76 1.830 -4.821 0.267 1.00 0.00 O ATOM 553 CB VAL A 76 4.238 -4.342 -2.059 1.00 0.00 C ATOM 554 CG1 VAL A 76 3.327 -3.541 -2.992 1.00 0.00 C ATOM 555 CG2 VAL A 76 4.848 -3.310 -1.098 1.00 0.00 C ATOM 0 H VAL A 76 4.042 -6.668 -2.903 1.00 0.00 H new ATOM 0 HA VAL A 76 4.106 -5.500 -0.311 1.00 0.00 H new ATOM 0 HB VAL A 76 4.966 -4.871 -2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.912 -2.776 -3.503 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.882 -4.210 -3.729 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.537 -3.066 -2.410 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.323 -2.514 -1.672 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.062 -2.887 -0.472 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.592 -3.796 -0.467 1.00 0.00 H new ATOM 556 N ALA A 77 1.157 -5.491 -1.777 1.00 0.00 N ATOM 557 CA ALA A 77 -0.254 -5.381 -1.445 1.00 0.00 C ATOM 558 C ALA A 77 -0.619 -6.292 -0.271 1.00 0.00 C ATOM 559 O ALA A 77 -1.094 -5.820 0.762 1.00 0.00 O ATOM 560 CB ALA A 77 -1.108 -5.702 -2.671 1.00 0.00 C ATOM 0 H ALA A 77 1.348 -5.786 -2.735 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.456 -4.355 -1.138 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.163 -5.617 -2.412 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.873 -5.001 -3.472 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.897 -6.718 -3.005 1.00 0.00 H new ATOM 561 N ALA A 78 -0.402 -7.600 -0.421 1.00 0.00 N ATOM 562 CA ALA A 78 -0.736 -8.576 0.607 1.00 0.00 C ATOM 563 C ALA A 78 -0.020 -8.294 1.934 1.00 0.00 C ATOM 564 O ALA A 78 -0.580 -8.524 3.004 1.00 0.00 O ATOM 565 CB ALA A 78 -0.429 -9.979 0.087 1.00 0.00 C ATOM 0 H ALA A 78 0.010 -8.008 -1.260 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.802 -8.499 0.822 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.677 -10.713 0.853 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.021 -10.173 -0.807 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.631 -10.053 -0.156 1.00 0.00 H new ATOM 566 N TYR A 79 1.210 -7.780 1.877 1.00 0.00 N ATOM 567 CA TYR A 79 1.967 -7.345 3.041 1.00 0.00 C ATOM 568 C TYR A 79 1.219 -6.253 3.783 1.00 0.00 C ATOM 569 O TYR A 79 0.895 -6.410 4.959 1.00 0.00 O ATOM 570 CB TYR A 79 3.351 -6.855 2.608 1.00 0.00 C ATOM 571 CG TYR A 79 4.116 -6.067 3.650 1.00 0.00 C ATOM 572 CD1 TYR A 79 4.514 -6.689 4.847 1.00 0.00 C ATOM 573 CD2 TYR A 79 4.292 -4.679 3.491 1.00 0.00 C ATOM 574 CE1 TYR A 79 5.054 -5.922 5.892 1.00 0.00 C ATOM 575 CE2 TYR A 79 4.807 -3.910 4.548 1.00 0.00 C ATOM 576 CZ TYR A 79 5.192 -4.533 5.744 1.00 0.00 C ATOM 577 OH TYR A 79 5.592 -3.781 6.807 1.00 0.00 O ATOM 0 H TYR A 79 1.714 -7.654 0.999 1.00 0.00 H new ATOM 0 HA TYR A 79 2.091 -8.190 3.718 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.949 -7.719 2.319 1.00 0.00 H new ATOM 0 HB3 TYR A 79 3.236 -6.234 1.719 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.404 -7.757 4.963 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.031 -4.205 2.556 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.363 -6.401 6.809 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.906 -2.840 4.440 1.00 0.00 H new ATOM 0 HH TYR A 79 5.639 -2.839 6.542 1.00 0.00 H new ATOM 578 N VAL A 80 0.953 -5.144 3.089 1.00 0.00 N ATOM 579 CA VAL A 80 0.169 -4.052 3.622 1.00 0.00 C ATOM 580 C VAL A 80 -1.138 -4.596 4.200 1.00 0.00 C ATOM 581 O VAL A 80 -1.525 -4.216 5.301 1.00 0.00 O ATOM 582 CB VAL A 80 -0.034 -3.017 2.506 1.00 0.00 C ATOM 583 CG1 VAL A 80 -1.230 -2.118 2.785 1.00 0.00 C ATOM 584 CG2 VAL A 80 1.223 -2.154 2.356 1.00 0.00 C ATOM 0 H VAL A 80 1.282 -4.987 2.136 1.00 0.00 H new ATOM 0 HA VAL A 80 0.679 -3.551 4.445 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.224 -3.563 1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.342 -1.399 1.974 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.132 -2.725 2.859 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.074 -1.585 3.723 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.070 -1.423 1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.422 -1.635 3.294 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.073 -2.789 2.105 1.00 0.00 H new ATOM 585 N TYR A 81 -1.807 -5.499 3.479 1.00 0.00 N ATOM 586 CA TYR A 81 -3.046 -6.100 3.944 1.00 0.00 C ATOM 587 C TYR A 81 -2.854 -6.813 5.282 1.00 0.00 C ATOM 588 O TYR A 81 -3.602 -6.556 6.218 1.00 0.00 O ATOM 589 CB TYR A 81 -3.613 -7.046 2.884 1.00 0.00 C ATOM 590 CG TYR A 81 -5.112 -7.224 2.989 1.00 0.00 C ATOM 591 CD1 TYR A 81 -5.960 -6.242 2.448 1.00 0.00 C ATOM 592 CD2 TYR A 81 -5.666 -8.342 3.639 1.00 0.00 C ATOM 593 CE1 TYR A 81 -7.351 -6.380 2.546 1.00 0.00 C ATOM 594 CE2 TYR A 81 -7.062 -8.484 3.726 1.00 0.00 C ATOM 595 CZ TYR A 81 -7.908 -7.506 3.175 1.00 0.00 C ATOM 596 OH TYR A 81 -9.260 -7.631 3.297 1.00 0.00 O ATOM 0 H TYR A 81 -1.502 -5.828 2.563 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.769 -5.301 4.107 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.367 -6.662 1.894 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.130 -8.019 2.978 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -5.538 -5.378 1.955 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.019 -9.091 4.071 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -7.997 -5.618 2.136 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -7.486 -9.347 4.218 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.694 -6.812 2.979 1.00 0.00 H new ATOM 597 N ASP A 82 -1.857 -7.695 5.390 1.00 0.00 N ATOM 598 CA ASP A 82 -1.595 -8.474 6.597 1.00 0.00 C ATOM 599 C ASP A 82 -1.281 -7.554 7.778 1.00 0.00 C ATOM 600 O ASP A 82 -1.878 -7.634 8.862 1.00 0.00 O ATOM 601 CB ASP A 82 -0.403 -9.402 6.328 1.00 0.00 C ATOM 602 CG ASP A 82 -0.449 -10.631 7.212 1.00 0.00 C ATOM 603 OD1 ASP A 82 -0.376 -10.449 8.447 1.00 0.00 O ATOM 604 OD2 ASP A 82 -0.571 -11.727 6.620 1.00 0.00 O ATOM 0 H ASP A 82 -1.203 -7.888 4.632 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.480 -9.058 6.850 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.405 -9.705 5.281 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.527 -8.861 6.502 1.00 0.00 H new ATOM 605 N GLN A 83 -0.303 -6.680 7.534 1.00 0.00 N ATOM 606 CA GLN A 83 0.185 -5.642 8.417 1.00 0.00 C ATOM 607 C GLN A 83 -0.996 -4.822 8.963 1.00 0.00 C ATOM 608 O GLN A 83 -1.161 -4.710 10.178 1.00 0.00 O ATOM 609 CB GLN A 83 1.194 -4.837 7.583 1.00 0.00 C ATOM 610 CG GLN A 83 1.857 -3.675 8.283 1.00 0.00 C ATOM 611 CD GLN A 83 2.823 -4.054 9.386 1.00 0.00 C ATOM 612 OE1 GLN A 83 2.480 -3.967 10.552 1.00 0.00 O ATOM 613 NE2 GLN A 83 4.046 -4.440 9.052 1.00 0.00 N ATOM 0 H GLN A 83 0.200 -6.688 6.646 1.00 0.00 H new ATOM 0 HA GLN A 83 0.686 -6.022 9.308 1.00 0.00 H new ATOM 0 HB2 GLN A 83 1.972 -5.517 7.235 1.00 0.00 H new ATOM 0 HB3 GLN A 83 0.683 -4.458 6.698 1.00 0.00 H new ATOM 0 HG2 GLN A 83 2.392 -3.082 7.541 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.082 -3.035 8.705 1.00 0.00 H new ATOM 0 HE21 GLN A 83 4.310 -4.505 8.069 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.724 -4.672 9.778 1.00 0.00 H new ATOM 614 N ALA A 84 -1.837 -4.287 8.074 1.00 0.00 N ATOM 615 CA ALA A 84 -2.994 -3.473 8.423 1.00 0.00 C ATOM 616 C ALA A 84 -4.077 -4.286 9.136 1.00 0.00 C ATOM 617 O ALA A 84 -4.555 -3.874 10.190 1.00 0.00 O ATOM 618 CB ALA A 84 -3.555 -2.815 7.160 1.00 0.00 C ATOM 0 H ALA A 84 -1.725 -4.414 7.068 1.00 0.00 H new ATOM 0 HA ALA A 84 -2.667 -2.703 9.122 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -4.421 -2.206 7.421 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.790 -2.184 6.708 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.855 -3.586 6.450 1.00 0.00 H new ATOM 619 N ALA A 85 -4.469 -5.434 8.574 1.00 0.00 N ATOM 620 CA ALA A 85 -5.493 -6.321 9.123 1.00 0.00 C ATOM 621 C ALA A 85 -5.184 -6.633 10.580 1.00 0.00 C ATOM 622 O ALA A 85 -6.045 -6.532 11.449 1.00 0.00 O ATOM 623 CB ALA A 85 -5.554 -7.639 8.339 1.00 0.00 C ATOM 0 H ALA A 85 -4.070 -5.779 7.701 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.454 -5.813 9.044 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.323 -8.282 8.767 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.793 -7.431 7.296 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.588 -8.141 8.396 1.00 0.00 H new ATOM 624 N GLY A 86 -3.931 -7.010 10.834 1.00 0.00 N ATOM 625 CA GLY A 86 -3.475 -7.347 12.168 1.00 0.00 C ATOM 626 C GLY A 86 -3.245 -6.126 13.062 1.00 0.00 C ATOM 627 O GLY A 86 -2.874 -6.313 14.215 1.00 0.00 O ATOM 0 H GLY A 86 -3.210 -7.088 10.117 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.209 -8.000 12.640 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.546 -7.913 12.094 1.00 0.00 H new ATOM 628 N ASN A 87 -3.371 -4.907 12.518 1.00 0.00 N ATOM 629 CA ASN A 87 -2.665 -3.710 12.965 1.00 0.00 C ATOM 630 C ASN A 87 -1.357 -4.064 13.673 1.00 0.00 C ATOM 631 O ASN A 87 -1.205 -3.875 14.879 1.00 0.00 O ATOM 632 CB ASN A 87 -3.544 -2.733 13.757 1.00 0.00 C ATOM 633 CG ASN A 87 -2.836 -1.375 13.825 1.00 0.00 C ATOM 634 OD1 ASN A 87 -3.174 -0.456 13.082 1.00 0.00 O ATOM 635 ND2 ASN A 87 -1.812 -1.280 14.663 1.00 0.00 N ATOM 0 H ASN A 87 -3.990 -4.727 11.728 1.00 0.00 H new ATOM 0 HA ASN A 87 -2.396 -3.156 12.066 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.517 -2.628 13.278 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -3.723 -3.116 14.762 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -1.269 -0.418 14.709 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.568 -2.069 15.261 1.00 0.00 H new ATOM 636 N LYS A 88 -0.407 -4.574 12.893 1.00 0.00 N ATOM 637 CA LYS A 88 0.966 -4.716 13.333 1.00 0.00 C ATOM 638 C LYS A 88 1.700 -3.361 13.226 1.00 0.00 C ATOM 639 O LYS A 88 2.830 -3.266 13.701 1.00 0.00 O ATOM 640 CB LYS A 88 1.642 -5.853 12.540 1.00 0.00 C ATOM 641 CG LYS A 88 1.439 -7.264 13.116 1.00 0.00 C ATOM 642 CD LYS A 88 0.138 -7.945 12.665 1.00 0.00 C ATOM 643 CE LYS A 88 0.314 -8.573 11.267 1.00 0.00 C ATOM 644 NZ LYS A 88 -0.868 -9.273 10.725 1.00 0.00 N ATOM 0 H LYS A 88 -0.574 -4.898 11.940 1.00 0.00 H new ATOM 0 HA LYS A 88 1.007 -4.998 14.385 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.263 -5.837 11.518 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.712 -5.650 12.486 1.00 0.00 H new ATOM 0 HG2 LYS A 88 2.283 -7.889 12.824 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.447 -7.205 14.204 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.144 -8.715 13.383 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.672 -7.216 12.644 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.599 -7.786 10.569 1.00 0.00 H new ATOM 0 HE3 LYS A 88 1.144 -9.278 11.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.566 -9.953 9.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.354 -9.779 11.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -1.518 -8.580 10.301 1.00 0.00 H new ATOM 645 N TRP A 89 1.072 -2.333 12.627 1.00 0.00 N ATOM 646 CA TRP A 89 1.584 -0.967 12.613 1.00 0.00 C ATOM 647 C TRP A 89 1.714 -0.427 14.042 1.00 0.00 C ATOM 648 O TRP A 89 2.840 -0.034 14.416 1.00 0.00 O ATOM 649 CB TRP A 89 0.616 -0.035 11.871 1.00 0.00 C ATOM 650 CG TRP A 89 0.289 -0.312 10.439 1.00 0.00 C ATOM 651 CD1 TRP A 89 -0.962 -0.371 9.935 1.00 0.00 C ATOM 652 CD2 TRP A 89 1.187 -0.471 9.299 1.00 0.00 C ATOM 653 NE1 TRP A 89 -0.901 -0.492 8.567 1.00 0.00 N ATOM 654 CE2 TRP A 89 0.397 -0.551 8.114 1.00 0.00 C ATOM 655 CE3 TRP A 89 2.581 -0.619 9.145 1.00 0.00 C ATOM 656 CZ2 TRP A 89 0.963 -0.695 6.837 1.00 0.00 C ATOM 657 CZ3 TRP A 89 3.142 -0.850 7.880 1.00 0.00 C ATOM 658 CH2 TRP A 89 2.357 -0.780 6.716 1.00 0.00 C ATOM 659 OXT TRP A 89 0.655 -0.350 14.708 1.00 0.00 O ATOM 0 H TRP A 89 0.184 -2.438 12.135 1.00 0.00 H new ATOM 0 HA TRP A 89 2.554 -0.992 12.117 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -0.322 -0.028 12.426 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.026 0.974 11.925 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -1.871 -0.330 10.517 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -1.720 -0.533 7.960 1.00 0.00 H new ATOM 0 HE3 TRP A 89 3.224 -0.554 10.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 0.333 -0.740 5.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 4.193 -1.085 7.799 1.00 0.00 H new ATOM 0 HH2 TRP A 89 2.822 -0.792 5.741 1.00 0.00 H new