USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 484 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 111 THR OG1 : rot 180:sc= -1.79! USER MOD Set 1.2: A 114 GLN : amide:sc= 0.873 K(o=-0.92,f=-7.7!) USER MOD Set 2.1: A 82 THR OG1 : rot 180:sc= 0.0246 USER MOD Set 2.2: A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 93 TYR OH : rot 116:sc= 0.0263 USER MOD Set 3.1: A 72 HIS : no HE2:sc= -1.01 K(o=-2,f=-7.4!) USER MOD Set 3.2: A 74 ASN : amide:sc= -1 K(o=-2,f=-5.3!) USER MOD Single : A 71 GLN : amide:sc= -0.455 K(o=-0.45,f=-4.1!) USER MOD Single : A 76 ASN : amide:sc= 1.2 K(o=1.2,f=-6.3!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -60:sc= 0.809 USER MOD Single : A 103 TYR OH : rot 173:sc= -1.44 USER MOD Single : A 108 ASN : amide:sc= -0.0175 K(o=-0.017,f=-2.8!) USER MOD Single : A 109 SER OG : rot -52:sc= 1.27 USER MOD Single : A 115 GLN : amide:sc= -5.92! C(o=-5.9!,f=-5.7!) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 68 68.283 21.780 120.579 1.00 0.00 N ATOM 2 CA GLU A 68 68.019 23.234 120.665 1.00 0.00 C ATOM 3 C GLU A 68 66.741 23.546 119.965 1.00 0.00 C ATOM 4 O GLU A 68 65.947 22.655 119.664 1.00 0.00 O ATOM 5 CB GLU A 68 69.133 24.049 119.985 1.00 0.00 C ATOM 6 CG GLU A 68 69.058 24.050 118.456 1.00 0.00 C ATOM 7 CD GLU A 68 69.169 22.618 117.950 1.00 0.00 C ATOM 8 OE1 GLU A 68 68.104 21.949 117.852 1.00 0.00 O ATOM 9 OE2 GLU A 68 70.314 22.171 117.666 1.00 0.00 O ATOM 0 HA GLU A 68 67.970 23.499 121.721 1.00 0.00 H new ATOM 0 HB2 GLU A 68 69.086 25.078 120.342 1.00 0.00 H new ATOM 0 HB3 GLU A 68 70.100 23.650 120.291 1.00 0.00 H new ATOM 0 HG2 GLU A 68 68.119 24.493 118.126 1.00 0.00 H new ATOM 0 HG3 GLU A 68 69.861 24.659 118.041 1.00 0.00 H new ATOM 15 N GLY A 69 66.502 24.840 119.699 1.00 0.00 N ATOM 16 CA GLY A 69 65.291 25.199 119.031 1.00 0.00 C ATOM 17 C GLY A 69 64.204 24.885 119.993 1.00 0.00 C ATOM 18 O GLY A 69 64.454 24.668 121.177 1.00 0.00 O ATOM 0 H GLY A 69 67.122 25.615 119.936 1.00 0.00 H new ATOM 0 HA2 GLY A 69 65.287 26.256 118.765 1.00 0.00 H new ATOM 0 HA3 GLY A 69 65.171 24.637 118.105 1.00 0.00 H new ATOM 22 N GLY A 70 62.954 24.835 119.511 1.00 0.00 N ATOM 23 CA GLY A 70 61.907 24.507 120.419 1.00 0.00 C ATOM 24 C GLY A 70 60.700 25.183 119.919 1.00 0.00 C ATOM 25 O GLY A 70 60.753 25.979 118.982 1.00 0.00 O ATOM 0 H GLY A 70 62.676 25.011 118.545 1.00 0.00 H new ATOM 0 HA2 GLY A 70 61.757 23.428 120.466 1.00 0.00 H new ATOM 0 HA3 GLY A 70 62.149 24.840 121.428 1.00 0.00 H new ATOM 29 N GLN A 71 59.567 24.850 120.543 1.00 0.00 N ATOM 30 CA GLN A 71 58.362 25.520 120.214 1.00 0.00 C ATOM 31 C GLN A 71 58.544 26.818 120.923 1.00 0.00 C ATOM 32 O GLN A 71 59.352 26.887 121.846 1.00 0.00 O ATOM 33 CB GLN A 71 57.137 24.837 120.844 1.00 0.00 C ATOM 34 CG GLN A 71 55.803 25.201 120.195 1.00 0.00 C ATOM 35 CD GLN A 71 55.609 24.210 119.057 1.00 0.00 C ATOM 36 OE1 GLN A 71 56.694 23.968 118.273 1.00 0.00 O ATOM 37 NE2 GLN A 71 54.526 23.654 118.879 1.00 0.00 N ATOM 0 H GLN A 71 59.485 24.131 121.262 1.00 0.00 H new ATOM 0 HA GLN A 71 58.193 25.564 119.138 1.00 0.00 H new ATOM 0 HB2 GLN A 71 57.271 23.757 120.788 1.00 0.00 H new ATOM 0 HB3 GLN A 71 57.095 25.099 121.901 1.00 0.00 H new ATOM 0 HG2 GLN A 71 54.987 25.134 120.915 1.00 0.00 H new ATOM 0 HG3 GLN A 71 55.816 26.225 119.823 1.00 0.00 H new ATOM 0 HE21 GLN A 71 53.738 23.865 119.491 1.00 0.00 H new ATOM 0 HE22 GLN A 71 54.416 22.982 118.119 1.00 0.00 H new ATOM 46 N HIS A 72 57.871 27.895 120.485 1.00 0.00 N ATOM 47 CA HIS A 72 57.993 29.115 121.229 1.00 0.00 C ATOM 48 C HIS A 72 56.848 29.144 122.182 1.00 0.00 C ATOM 49 O HIS A 72 55.855 28.458 121.948 1.00 0.00 O ATOM 50 CB HIS A 72 57.934 30.387 120.374 1.00 0.00 C ATOM 51 CG HIS A 72 58.005 31.624 121.216 1.00 0.00 C ATOM 52 ND1 HIS A 72 59.067 32.226 121.817 1.00 0.00 N ATOM 53 CD2 HIS A 72 56.903 32.374 121.555 1.00 0.00 C ATOM 54 CE1 HIS A 72 58.654 33.342 122.526 1.00 0.00 C ATOM 55 NE2 HIS A 72 57.347 33.390 122.339 1.00 0.00 N ATOM 0 H HIS A 72 57.271 27.930 119.661 1.00 0.00 H new ATOM 0 HA HIS A 72 58.972 29.117 121.708 1.00 0.00 H new ATOM 0 HB2 HIS A 72 58.758 30.385 119.661 1.00 0.00 H new ATOM 0 HB3 HIS A 72 57.011 30.394 119.795 1.00 0.00 H new ATOM 0 HD1 HIS A 72 60.032 31.901 121.754 1.00 0.00 H new ATOM 0 HD2 HIS A 72 55.882 32.190 121.255 1.00 0.00 H new ATOM 0 HE1 HIS A 72 59.264 34.021 123.103 1.00 0.00 H new ATOM 63 N LEU A 73 56.971 29.881 123.312 1.00 0.00 N ATOM 64 CA LEU A 73 55.847 29.913 124.204 1.00 0.00 C ATOM 65 C LEU A 73 55.880 31.168 125.031 1.00 0.00 C ATOM 66 O LEU A 73 56.846 31.444 125.742 1.00 0.00 O ATOM 67 CB LEU A 73 55.802 28.712 125.167 1.00 0.00 C ATOM 68 CG LEU A 73 54.567 28.689 126.087 1.00 0.00 C ATOM 69 CD1 LEU A 73 53.266 28.588 125.274 1.00 0.00 C ATOM 70 CD2 LEU A 73 54.683 27.577 127.144 1.00 0.00 C ATOM 0 H LEU A 73 57.790 30.420 123.593 1.00 0.00 H new ATOM 0 HA LEU A 73 54.960 29.876 123.571 1.00 0.00 H new ATOM 0 HB2 LEU A 73 55.824 27.791 124.584 1.00 0.00 H new ATOM 0 HB3 LEU A 73 56.701 28.721 125.784 1.00 0.00 H new ATOM 0 HG LEU A 73 54.529 29.636 126.625 1.00 0.00 H new ATOM 0 HD11 LEU A 73 52.413 28.574 125.953 1.00 0.00 H new ATOM 0 HD12 LEU A 73 53.186 29.447 124.608 1.00 0.00 H new ATOM 0 HD13 LEU A 73 53.276 27.671 124.684 1.00 0.00 H new ATOM 0 HD21 LEU A 73 53.797 27.585 127.779 1.00 0.00 H new ATOM 0 HD22 LEU A 73 54.765 26.610 126.647 1.00 0.00 H new ATOM 0 HD23 LEU A 73 55.569 27.747 127.755 1.00 0.00 H new ATOM 82 N ASN A 74 54.800 31.974 124.956 1.00 0.00 N ATOM 83 CA ASN A 74 54.697 33.152 125.773 1.00 0.00 C ATOM 84 C ASN A 74 53.966 32.720 127.004 1.00 0.00 C ATOM 85 O ASN A 74 53.007 31.956 126.917 1.00 0.00 O ATOM 86 CB ASN A 74 53.883 34.290 125.131 1.00 0.00 C ATOM 87 CG ASN A 74 54.714 34.896 124.008 1.00 0.00 C ATOM 88 OD1 ASN A 74 54.093 35.068 122.811 1.00 0.00 O ATOM 89 ND2 ASN A 74 55.888 35.208 124.193 1.00 0.00 N ATOM 0 H ASN A 74 54.005 31.814 124.337 1.00 0.00 H new ATOM 0 HA ASN A 74 55.700 33.543 125.945 1.00 0.00 H new ATOM 0 HB2 ASN A 74 52.939 33.909 124.742 1.00 0.00 H new ATOM 0 HB3 ASN A 74 53.638 35.049 125.875 1.00 0.00 H new ATOM 0 HD21 ASN A 74 56.434 35.613 123.432 1.00 0.00 H new ATOM 0 HD22 ASN A 74 56.316 35.062 125.107 1.00 0.00 H new ATOM 96 N VAL A 75 54.395 33.176 128.197 1.00 0.00 N ATOM 97 CA VAL A 75 53.709 32.697 129.360 1.00 0.00 C ATOM 98 C VAL A 75 53.120 33.845 130.111 1.00 0.00 C ATOM 99 O VAL A 75 53.829 34.747 130.557 1.00 0.00 O ATOM 100 CB VAL A 75 54.617 31.963 130.305 1.00 0.00 C ATOM 101 CG1 VAL A 75 53.842 31.626 131.588 1.00 0.00 C ATOM 102 CG2 VAL A 75 55.176 30.731 129.572 1.00 0.00 C ATOM 0 H VAL A 75 55.162 33.830 128.355 1.00 0.00 H new ATOM 0 HA VAL A 75 52.941 32.011 129.003 1.00 0.00 H new ATOM 0 HB VAL A 75 55.468 32.570 130.614 1.00 0.00 H new ATOM 0 HG11 VAL A 75 54.496 31.093 132.278 1.00 0.00 H new ATOM 0 HG12 VAL A 75 53.494 32.547 132.056 1.00 0.00 H new ATOM 0 HG13 VAL A 75 52.986 30.998 131.341 1.00 0.00 H new ATOM 0 HG21 VAL A 75 55.840 30.181 130.239 1.00 0.00 H new ATOM 0 HG22 VAL A 75 54.353 30.086 129.265 1.00 0.00 H new ATOM 0 HG23 VAL A 75 55.732 31.053 128.691 1.00 0.00 H new ATOM 112 N ASN A 76 51.782 33.831 130.278 1.00 0.00 N ATOM 113 CA ASN A 76 51.138 34.866 131.032 1.00 0.00 C ATOM 114 C ASN A 76 50.374 34.183 132.114 1.00 0.00 C ATOM 115 O ASN A 76 49.541 33.319 131.845 1.00 0.00 O ATOM 116 CB ASN A 76 50.109 35.697 130.235 1.00 0.00 C ATOM 117 CG ASN A 76 50.811 36.613 129.233 1.00 0.00 C ATOM 118 OD1 ASN A 76 51.934 37.063 129.447 1.00 0.00 O ATOM 119 ND2 ASN A 76 50.115 36.910 128.102 1.00 0.00 N ATOM 0 H ASN A 76 51.157 33.119 129.900 1.00 0.00 H new ATOM 0 HA ASN A 76 51.916 35.551 131.369 1.00 0.00 H new ATOM 0 HB2 ASN A 76 49.426 35.030 129.709 1.00 0.00 H new ATOM 0 HB3 ASN A 76 49.507 36.294 130.921 1.00 0.00 H new ATOM 0 HD21 ASN A 76 50.524 37.525 127.398 1.00 0.00 H new ATOM 0 HD22 ASN A 76 49.184 36.518 127.958 1.00 0.00 H new ATOM 126 N VAL A 77 50.658 34.534 133.380 1.00 0.00 N ATOM 127 CA VAL A 77 49.911 33.958 134.454 1.00 0.00 C ATOM 128 C VAL A 77 49.187 35.072 135.139 1.00 0.00 C ATOM 129 O VAL A 77 49.769 35.818 135.925 1.00 0.00 O ATOM 130 CB VAL A 77 50.773 33.227 135.445 1.00 0.00 C ATOM 131 CG1 VAL A 77 51.275 31.933 134.786 1.00 0.00 C ATOM 132 CG2 VAL A 77 51.936 34.146 135.849 1.00 0.00 C ATOM 0 H VAL A 77 51.383 35.197 133.656 1.00 0.00 H new ATOM 0 HA VAL A 77 49.226 33.216 134.044 1.00 0.00 H new ATOM 0 HB VAL A 77 50.217 32.963 136.344 1.00 0.00 H new ATOM 0 HG11 VAL A 77 51.903 31.387 135.489 1.00 0.00 H new ATOM 0 HG12 VAL A 77 50.423 31.314 134.504 1.00 0.00 H new ATOM 0 HG13 VAL A 77 51.855 32.179 133.897 1.00 0.00 H new ATOM 0 HG21 VAL A 77 52.573 33.632 136.569 1.00 0.00 H new ATOM 0 HG22 VAL A 77 52.521 34.403 134.966 1.00 0.00 H new ATOM 0 HG23 VAL A 77 51.541 35.056 136.300 1.00 0.00 H new ATOM 142 N LEU A 78 47.878 35.219 134.842 1.00 0.00 N ATOM 143 CA LEU A 78 47.128 36.261 135.482 1.00 0.00 C ATOM 144 C LEU A 78 45.665 35.949 135.387 1.00 0.00 C ATOM 145 O LEU A 78 45.265 34.903 134.878 1.00 0.00 O ATOM 146 CB LEU A 78 47.347 37.667 134.891 1.00 0.00 C ATOM 147 CG LEU A 78 46.643 37.911 133.543 1.00 0.00 C ATOM 148 CD1 LEU A 78 46.977 39.310 132.997 1.00 0.00 C ATOM 149 CD2 LEU A 78 46.922 36.783 132.537 1.00 0.00 C ATOM 0 H LEU A 78 47.355 34.640 134.184 1.00 0.00 H new ATOM 0 HA LEU A 78 47.486 36.286 136.511 1.00 0.00 H new ATOM 0 HB2 LEU A 78 46.995 38.408 135.609 1.00 0.00 H new ATOM 0 HB3 LEU A 78 48.417 37.830 134.762 1.00 0.00 H new ATOM 0 HG LEU A 78 45.566 37.890 133.712 1.00 0.00 H new ATOM 0 HD11 LEU A 78 46.469 39.460 132.044 1.00 0.00 H new ATOM 0 HD12 LEU A 78 46.646 40.067 133.708 1.00 0.00 H new ATOM 0 HD13 LEU A 78 48.054 39.396 132.851 1.00 0.00 H new ATOM 0 HD21 LEU A 78 46.407 36.995 131.600 1.00 0.00 H new ATOM 0 HD22 LEU A 78 47.994 36.716 132.354 1.00 0.00 H new ATOM 0 HD23 LEU A 78 46.563 35.837 132.942 1.00 0.00 H new ATOM 161 N ARG A 79 44.830 36.867 135.923 1.00 0.00 N ATOM 162 CA ARG A 79 43.401 36.731 135.880 1.00 0.00 C ATOM 163 C ARG A 79 42.887 37.841 135.017 1.00 0.00 C ATOM 164 O ARG A 79 43.449 38.935 134.978 1.00 0.00 O ATOM 165 CB ARG A 79 42.712 36.900 137.245 1.00 0.00 C ATOM 166 CG ARG A 79 43.065 35.817 138.262 1.00 0.00 C ATOM 167 CD ARG A 79 42.368 36.007 139.613 1.00 0.00 C ATOM 168 NE ARG A 79 42.834 37.304 140.182 1.00 0.00 N ATOM 169 CZ ARG A 79 42.099 37.928 141.148 1.00 0.00 C ATOM 170 NH1 ARG A 79 40.953 37.347 141.608 1.00 0.00 N ATOM 171 NH2 ARG A 79 42.501 39.133 141.646 1.00 0.00 N ATOM 0 H ARG A 79 45.152 37.714 136.392 1.00 0.00 H new ATOM 0 HA ARG A 79 43.184 35.726 135.518 1.00 0.00 H new ATOM 0 HB2 ARG A 79 42.982 37.872 137.658 1.00 0.00 H new ATOM 0 HB3 ARG A 79 41.632 36.905 137.096 1.00 0.00 H new ATOM 0 HG2 ARG A 79 42.794 34.843 137.855 1.00 0.00 H new ATOM 0 HG3 ARG A 79 44.144 35.809 138.415 1.00 0.00 H new ATOM 0 HD2 ARG A 79 41.285 36.011 139.488 1.00 0.00 H new ATOM 0 HD3 ARG A 79 42.608 35.185 140.287 1.00 0.00 H new ATOM 0 HE ARG A 79 43.702 37.725 139.849 1.00 0.00 H new ATOM 0 HH11 ARG A 79 40.649 36.450 141.230 1.00 0.00 H new ATOM 0 HH12 ARG A 79 40.401 37.810 142.330 1.00 0.00 H new ATOM 0 HH21 ARG A 79 43.353 39.571 141.296 1.00 0.00 H new ATOM 0 HH22 ARG A 79 41.949 39.596 142.368 1.00 0.00 H new ATOM 185 N ARG A 80 41.783 37.571 134.299 1.00 0.00 N ATOM 186 CA ARG A 80 41.213 38.528 133.396 1.00 0.00 C ATOM 187 C ARG A 80 40.725 39.710 134.176 1.00 0.00 C ATOM 188 O ARG A 80 40.784 40.844 133.702 1.00 0.00 O ATOM 189 CB ARG A 80 40.033 37.966 132.590 1.00 0.00 C ATOM 190 CG ARG A 80 39.591 38.874 131.446 1.00 0.00 C ATOM 191 CD ARG A 80 38.332 38.369 130.744 1.00 0.00 C ATOM 192 NE ARG A 80 37.279 38.268 131.791 1.00 0.00 N ATOM 193 CZ ARG A 80 36.597 39.393 132.157 1.00 0.00 C ATOM 194 NH1 ARG A 80 36.868 40.578 131.536 1.00 0.00 N ATOM 195 NH2 ARG A 80 35.658 39.340 133.147 1.00 0.00 N ATOM 0 H ARG A 80 41.280 36.685 134.343 1.00 0.00 H new ATOM 0 HA ARG A 80 41.998 38.803 132.691 1.00 0.00 H new ATOM 0 HB2 ARG A 80 40.311 36.993 132.185 1.00 0.00 H new ATOM 0 HB3 ARG A 80 39.190 37.803 133.261 1.00 0.00 H new ATOM 0 HG2 ARG A 80 39.409 39.876 131.833 1.00 0.00 H new ATOM 0 HG3 ARG A 80 40.399 38.955 130.719 1.00 0.00 H new ATOM 0 HD2 ARG A 80 38.028 39.053 129.952 1.00 0.00 H new ATOM 0 HD3 ARG A 80 38.510 37.400 130.277 1.00 0.00 H new ATOM 0 HE ARG A 80 37.070 37.371 132.229 1.00 0.00 H new ATOM 0 HH11 ARG A 80 37.576 40.619 130.803 1.00 0.00 H new ATOM 0 HH12 ARG A 80 36.362 41.422 131.805 1.00 0.00 H new ATOM 0 HH21 ARG A 80 35.463 38.457 133.618 1.00 0.00 H new ATOM 0 HH22 ARG A 80 35.152 40.184 133.416 1.00 0.00 H new ATOM 209 N GLU A 81 40.232 39.466 135.404 1.00 0.00 N ATOM 210 CA GLU A 81 39.667 40.494 136.231 1.00 0.00 C ATOM 211 C GLU A 81 40.711 41.528 136.513 1.00 0.00 C ATOM 212 O GLU A 81 40.405 42.719 136.557 1.00 0.00 O ATOM 213 CB GLU A 81 39.165 39.951 137.579 1.00 0.00 C ATOM 214 CG GLU A 81 37.994 38.975 137.437 1.00 0.00 C ATOM 215 CD GLU A 81 38.541 37.631 136.967 1.00 0.00 C ATOM 216 OE1 GLU A 81 39.732 37.343 137.258 1.00 0.00 O ATOM 217 OE2 GLU A 81 37.773 36.873 136.314 1.00 0.00 O ATOM 0 H GLU A 81 40.224 38.540 135.832 1.00 0.00 H new ATOM 0 HA GLU A 81 38.819 40.913 135.689 1.00 0.00 H new ATOM 0 HB2 GLU A 81 39.987 39.450 138.091 1.00 0.00 H new ATOM 0 HB3 GLU A 81 38.859 40.786 138.209 1.00 0.00 H new ATOM 0 HG2 GLU A 81 37.477 38.862 138.390 1.00 0.00 H new ATOM 0 HG3 GLU A 81 37.265 39.358 136.723 1.00 0.00 H new ATOM 224 N THR A 82 41.974 41.103 136.712 1.00 0.00 N ATOM 225 CA THR A 82 43.004 42.048 137.042 1.00 0.00 C ATOM 226 C THR A 82 43.177 42.999 135.898 1.00 0.00 C ATOM 227 O THR A 82 43.413 44.187 136.107 1.00 0.00 O ATOM 228 CB THR A 82 44.352 41.435 137.330 1.00 0.00 C ATOM 229 OG1 THR A 82 45.186 42.401 137.953 1.00 0.00 O ATOM 230 CG2 THR A 82 45.013 40.951 136.026 1.00 0.00 C ATOM 0 H THR A 82 42.279 40.132 136.647 1.00 0.00 H new ATOM 0 HA THR A 82 42.671 42.538 137.957 1.00 0.00 H new ATOM 0 HB THR A 82 44.216 40.580 137.993 1.00 0.00 H new ATOM 0 HG1 THR A 82 46.062 42.004 138.142 1.00 0.00 H new ATOM 0 HG21 THR A 82 45.985 40.512 136.252 1.00 0.00 H new ATOM 0 HG22 THR A 82 44.378 40.203 135.552 1.00 0.00 H new ATOM 0 HG23 THR A 82 45.145 41.796 135.350 1.00 0.00 H new ATOM 238 N LEU A 83 43.092 42.487 134.655 1.00 0.00 N ATOM 239 CA LEU A 83 43.247 43.304 133.483 1.00 0.00 C ATOM 240 C LEU A 83 42.115 44.274 133.422 1.00 0.00 C ATOM 241 O LEU A 83 42.292 45.429 133.037 1.00 0.00 O ATOM 242 CB LEU A 83 43.216 42.508 132.161 1.00 0.00 C ATOM 243 CG LEU A 83 44.446 41.617 131.914 1.00 0.00 C ATOM 244 CD1 LEU A 83 44.329 40.863 130.578 1.00 0.00 C ATOM 245 CD2 LEU A 83 45.747 42.432 132.025 1.00 0.00 C ATOM 0 H LEU A 83 42.915 41.502 134.458 1.00 0.00 H new ATOM 0 HA LEU A 83 44.223 43.782 133.573 1.00 0.00 H new ATOM 0 HB2 LEU A 83 42.324 41.882 132.151 1.00 0.00 H new ATOM 0 HB3 LEU A 83 43.122 43.210 131.333 1.00 0.00 H new ATOM 0 HG LEU A 83 44.483 40.857 132.695 1.00 0.00 H new ATOM 0 HD11 LEU A 83 45.213 40.242 130.432 1.00 0.00 H new ATOM 0 HD12 LEU A 83 43.441 40.232 130.593 1.00 0.00 H new ATOM 0 HD13 LEU A 83 44.250 41.580 129.761 1.00 0.00 H new ATOM 0 HD21 LEU A 83 46.602 41.779 131.846 1.00 0.00 H new ATOM 0 HD22 LEU A 83 45.740 43.232 131.284 1.00 0.00 H new ATOM 0 HD23 LEU A 83 45.822 42.863 133.023 1.00 0.00 H new ATOM 257 N GLU A 84 40.910 43.813 133.794 1.00 0.00 N ATOM 258 CA GLU A 84 39.750 44.650 133.737 1.00 0.00 C ATOM 259 C GLU A 84 39.990 45.797 134.661 1.00 0.00 C ATOM 260 O GLU A 84 39.658 46.940 134.349 1.00 0.00 O ATOM 261 CB GLU A 84 38.488 43.925 134.226 1.00 0.00 C ATOM 262 CG GLU A 84 38.079 42.747 133.341 1.00 0.00 C ATOM 263 CD GLU A 84 36.935 42.019 134.033 1.00 0.00 C ATOM 264 OE1 GLU A 84 35.758 42.418 133.822 1.00 0.00 O ATOM 265 OE2 GLU A 84 37.224 41.053 134.788 1.00 0.00 O ATOM 0 H GLU A 84 40.737 42.867 134.133 1.00 0.00 H new ATOM 0 HA GLU A 84 39.592 44.955 132.703 1.00 0.00 H new ATOM 0 HB2 GLU A 84 38.656 43.565 135.241 1.00 0.00 H new ATOM 0 HB3 GLU A 84 37.664 44.637 134.272 1.00 0.00 H new ATOM 0 HG2 GLU A 84 37.768 43.098 132.357 1.00 0.00 H new ATOM 0 HG3 GLU A 84 38.922 42.074 133.187 1.00 0.00 H new ATOM 272 N ASP A 85 40.583 45.500 135.833 1.00 0.00 N ATOM 273 CA ASP A 85 40.873 46.478 136.842 1.00 0.00 C ATOM 274 C ASP A 85 41.879 47.438 136.287 1.00 0.00 C ATOM 275 O ASP A 85 41.816 48.640 136.542 1.00 0.00 O ATOM 276 CB ASP A 85 41.495 45.844 138.101 1.00 0.00 C ATOM 277 CG ASP A 85 41.493 46.873 139.223 1.00 0.00 C ATOM 278 OD1 ASP A 85 40.543 47.699 139.265 1.00 0.00 O ATOM 279 OD2 ASP A 85 42.431 46.836 140.062 1.00 0.00 O ATOM 0 H ASP A 85 40.869 44.555 136.087 1.00 0.00 H new ATOM 0 HA ASP A 85 39.936 46.963 137.117 1.00 0.00 H new ATOM 0 HB2 ASP A 85 40.928 44.961 138.398 1.00 0.00 H new ATOM 0 HB3 ASP A 85 42.513 45.514 137.893 1.00 0.00 H new ATOM 284 N ALA A 86 42.842 46.913 135.507 1.00 0.00 N ATOM 285 CA ALA A 86 43.905 47.697 134.948 1.00 0.00 C ATOM 286 C ALA A 86 43.343 48.714 134.006 1.00 0.00 C ATOM 287 O ALA A 86 43.828 49.843 133.939 1.00 0.00 O ATOM 288 CB ALA A 86 44.918 46.848 134.161 1.00 0.00 C ATOM 0 H ALA A 86 42.885 45.925 135.259 1.00 0.00 H new ATOM 0 HA ALA A 86 44.417 48.165 135.788 1.00 0.00 H new ATOM 0 HB1 ALA A 86 45.700 47.493 133.761 1.00 0.00 H new ATOM 0 HB2 ALA A 86 45.364 46.106 134.824 1.00 0.00 H new ATOM 0 HB3 ALA A 86 44.409 46.342 133.340 1.00 0.00 H new ATOM 294 N VAL A 87 42.315 48.333 133.229 1.00 0.00 N ATOM 295 CA VAL A 87 41.752 49.245 132.278 1.00 0.00 C ATOM 296 C VAL A 87 41.158 50.409 133.009 1.00 0.00 C ATOM 297 O VAL A 87 41.278 51.553 132.570 1.00 0.00 O ATOM 298 CB VAL A 87 40.670 48.614 131.451 1.00 0.00 C ATOM 299 CG1 VAL A 87 40.071 49.684 130.525 1.00 0.00 C ATOM 300 CG2 VAL A 87 41.277 47.412 130.708 1.00 0.00 C ATOM 0 H VAL A 87 41.878 47.412 133.255 1.00 0.00 H new ATOM 0 HA VAL A 87 42.556 49.555 131.611 1.00 0.00 H new ATOM 0 HB VAL A 87 39.847 48.234 132.057 1.00 0.00 H new ATOM 0 HG11 VAL A 87 39.283 49.239 129.917 1.00 0.00 H new ATOM 0 HG12 VAL A 87 39.654 50.493 131.125 1.00 0.00 H new ATOM 0 HG13 VAL A 87 40.851 50.080 129.874 1.00 0.00 H new ATOM 0 HG21 VAL A 87 40.509 46.935 130.099 1.00 0.00 H new ATOM 0 HG22 VAL A 87 42.089 47.753 130.066 1.00 0.00 H new ATOM 0 HG23 VAL A 87 41.663 46.694 131.432 1.00 0.00 H new ATOM 310 N LYS A 88 40.464 50.133 134.128 1.00 0.00 N ATOM 311 CA LYS A 88 39.831 51.155 134.909 1.00 0.00 C ATOM 312 C LYS A 88 40.858 52.032 135.572 1.00 0.00 C ATOM 313 O LYS A 88 40.774 53.256 135.477 1.00 0.00 O ATOM 314 CB LYS A 88 38.918 50.548 135.983 1.00 0.00 C ATOM 315 CG LYS A 88 37.773 49.731 135.375 1.00 0.00 C ATOM 316 CD LYS A 88 37.093 48.779 136.360 1.00 0.00 C ATOM 317 CE LYS A 88 35.848 49.358 137.033 1.00 0.00 C ATOM 318 NZ LYS A 88 34.643 49.008 136.248 1.00 0.00 N ATOM 0 H LYS A 88 40.340 49.190 134.497 1.00 0.00 H new ATOM 0 HA LYS A 88 39.227 51.755 134.229 1.00 0.00 H new ATOM 0 HB2 LYS A 88 39.508 49.910 136.641 1.00 0.00 H new ATOM 0 HB3 LYS A 88 38.505 51.346 136.600 1.00 0.00 H new ATOM 0 HG2 LYS A 88 37.026 50.416 134.974 1.00 0.00 H new ATOM 0 HG3 LYS A 88 38.159 49.153 134.536 1.00 0.00 H new ATOM 0 HD2 LYS A 88 36.816 47.866 135.833 1.00 0.00 H new ATOM 0 HD3 LYS A 88 37.811 48.497 137.130 1.00 0.00 H new ATOM 0 HE2 LYS A 88 35.758 48.969 138.047 1.00 0.00 H new ATOM 0 HE3 LYS A 88 35.938 50.441 137.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 33.800 49.404 136.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 34.728 49.400 135.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 34.553 47.973 136.193 1.00 0.00 H new ATOM 332 N HIS A 89 41.872 51.441 136.246 1.00 0.00 N ATOM 333 CA HIS A 89 42.844 52.253 136.936 1.00 0.00 C ATOM 334 C HIS A 89 44.219 51.962 136.408 1.00 0.00 C ATOM 335 O HIS A 89 44.867 51.003 136.823 1.00 0.00 O ATOM 336 CB HIS A 89 42.906 51.984 138.455 1.00 0.00 C ATOM 337 CG HIS A 89 41.733 52.507 139.232 1.00 0.00 C ATOM 338 ND1 HIS A 89 40.480 51.935 139.229 1.00 0.00 N ATOM 339 CD2 HIS A 89 41.648 53.577 140.070 1.00 0.00 C ATOM 340 CE1 HIS A 89 39.706 52.680 140.060 1.00 0.00 C ATOM 341 NE2 HIS A 89 40.372 53.687 140.594 1.00 0.00 N ATOM 0 H HIS A 89 42.019 50.434 136.314 1.00 0.00 H new ATOM 0 HA HIS A 89 42.532 53.283 136.766 1.00 0.00 H new ATOM 0 HB2 HIS A 89 42.982 50.909 138.617 1.00 0.00 H new ATOM 0 HB3 HIS A 89 43.817 52.431 138.853 1.00 0.00 H new ATOM 0 HD2 HIS A 89 42.464 54.248 140.295 1.00 0.00 H new ATOM 0 HE1 HIS A 89 38.665 52.472 140.261 1.00 0.00 H new ATOM 0 HE2 HIS A 89 40.024 54.389 141.247 1.00 0.00 H new ATOM 349 N PRO A 90 44.677 52.773 135.496 1.00 0.00 N ATOM 350 CA PRO A 90 46.004 52.601 134.960 1.00 0.00 C ATOM 351 C PRO A 90 47.109 52.921 135.926 1.00 0.00 C ATOM 352 O PRO A 90 48.173 52.314 135.829 1.00 0.00 O ATOM 353 CB PRO A 90 46.051 53.458 133.696 1.00 0.00 C ATOM 354 CG PRO A 90 44.590 53.491 133.222 1.00 0.00 C ATOM 355 CD PRO A 90 43.769 53.348 134.515 1.00 0.00 C ATOM 0 HA PRO A 90 46.186 51.549 134.739 1.00 0.00 H new ATOM 0 HB2 PRO A 90 46.426 54.460 133.905 1.00 0.00 H new ATOM 0 HB3 PRO A 90 46.707 53.023 132.942 1.00 0.00 H new ATOM 0 HG2 PRO A 90 44.360 54.423 132.706 1.00 0.00 H new ATOM 0 HG3 PRO A 90 44.379 52.680 132.525 1.00 0.00 H new ATOM 0 HD2 PRO A 90 43.393 54.315 134.849 1.00 0.00 H new ATOM 0 HD3 PRO A 90 42.902 52.705 134.360 1.00 0.00 H new ATOM 363 N GLU A 91 46.878 53.854 136.868 1.00 0.00 N ATOM 364 CA GLU A 91 47.901 54.315 137.766 1.00 0.00 C ATOM 365 C GLU A 91 48.346 53.184 138.631 1.00 0.00 C ATOM 366 O GLU A 91 49.487 53.162 139.089 1.00 0.00 O ATOM 367 CB GLU A 91 47.434 55.437 138.706 1.00 0.00 C ATOM 368 CG GLU A 91 46.317 55.004 139.652 1.00 0.00 C ATOM 369 CD GLU A 91 46.034 56.168 140.584 1.00 0.00 C ATOM 370 OE1 GLU A 91 45.736 57.280 140.073 1.00 0.00 O ATOM 371 OE2 GLU A 91 46.121 55.962 141.823 1.00 0.00 O ATOM 0 H GLU A 91 45.970 54.297 137.011 1.00 0.00 H new ATOM 0 HA GLU A 91 48.700 54.703 137.135 1.00 0.00 H new ATOM 0 HB2 GLU A 91 48.283 55.787 139.293 1.00 0.00 H new ATOM 0 HB3 GLU A 91 47.089 56.282 138.110 1.00 0.00 H new ATOM 0 HG2 GLU A 91 45.422 54.735 139.091 1.00 0.00 H new ATOM 0 HG3 GLU A 91 46.615 54.122 140.219 1.00 0.00 H new ATOM 378 N LYS A 92 47.427 52.246 138.917 1.00 0.00 N ATOM 379 CA LYS A 92 47.704 51.140 139.784 1.00 0.00 C ATOM 380 C LYS A 92 48.760 50.242 139.211 1.00 0.00 C ATOM 381 O LYS A 92 49.588 49.739 139.965 1.00 0.00 O ATOM 382 CB LYS A 92 46.469 50.262 140.060 1.00 0.00 C ATOM 383 CG LYS A 92 46.758 49.077 140.987 1.00 0.00 C ATOM 384 CD LYS A 92 45.507 48.358 141.496 1.00 0.00 C ATOM 385 CE LYS A 92 45.815 47.162 142.400 1.00 0.00 C ATOM 386 NZ LYS A 92 44.552 46.528 142.840 1.00 0.00 N ATOM 0 H LYS A 92 46.478 52.253 138.543 1.00 0.00 H new ATOM 0 HA LYS A 92 48.039 51.597 140.715 1.00 0.00 H new ATOM 0 HB2 LYS A 92 45.687 50.878 140.503 1.00 0.00 H new ATOM 0 HB3 LYS A 92 46.081 49.887 139.113 1.00 0.00 H new ATOM 0 HG2 LYS A 92 47.385 48.360 140.457 1.00 0.00 H new ATOM 0 HG3 LYS A 92 47.333 49.431 141.843 1.00 0.00 H new ATOM 0 HD2 LYS A 92 44.888 49.068 142.044 1.00 0.00 H new ATOM 0 HD3 LYS A 92 44.921 48.017 140.642 1.00 0.00 H new ATOM 0 HE2 LYS A 92 46.429 46.438 141.864 1.00 0.00 H new ATOM 0 HE3 LYS A 92 46.390 47.488 143.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 44.766 45.716 143.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 43.982 47.220 143.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 44.019 46.202 142.009 1.00 0.00 H new ATOM 400 N TYR A 93 48.756 49.970 137.886 1.00 0.00 N ATOM 401 CA TYR A 93 49.741 49.049 137.373 1.00 0.00 C ATOM 402 C TYR A 93 50.653 49.756 136.406 1.00 0.00 C ATOM 403 O TYR A 93 50.506 49.606 135.193 1.00 0.00 O ATOM 404 CB TYR A 93 49.118 47.897 136.558 1.00 0.00 C ATOM 405 CG TYR A 93 48.145 47.154 137.411 1.00 0.00 C ATOM 406 CD1 TYR A 93 46.866 47.633 137.576 1.00 0.00 C ATOM 407 CD2 TYR A 93 48.495 45.980 138.038 1.00 0.00 C ATOM 408 CE1 TYR A 93 45.953 46.961 138.353 1.00 0.00 C ATOM 409 CE2 TYR A 93 47.587 45.301 138.817 1.00 0.00 C ATOM 410 CZ TYR A 93 46.313 45.793 138.978 1.00 0.00 C ATOM 411 OH TYR A 93 45.378 45.099 139.777 1.00 0.00 O ATOM 0 H TYR A 93 48.110 50.362 137.200 1.00 0.00 H new ATOM 0 HA TYR A 93 50.258 48.660 138.250 1.00 0.00 H new ATOM 0 HB2 TYR A 93 48.616 48.292 135.675 1.00 0.00 H new ATOM 0 HB3 TYR A 93 49.899 47.223 136.206 1.00 0.00 H new ATOM 0 HD1 TYR A 93 46.575 48.551 137.087 1.00 0.00 H new ATOM 0 HD2 TYR A 93 49.494 45.587 137.917 1.00 0.00 H new ATOM 0 HE1 TYR A 93 44.953 47.352 138.472 1.00 0.00 H new ATOM 0 HE2 TYR A 93 47.875 44.380 139.303 1.00 0.00 H new ATOM 0 HH TYR A 93 45.197 44.221 139.381 1.00 0.00 H new ATOM 421 N PRO A 94 51.612 50.499 136.887 1.00 0.00 N ATOM 422 CA PRO A 94 52.509 51.177 135.989 1.00 0.00 C ATOM 423 C PRO A 94 53.447 50.287 135.235 1.00 0.00 C ATOM 424 O PRO A 94 53.773 50.605 134.092 1.00 0.00 O ATOM 425 CB PRO A 94 53.216 52.238 136.830 1.00 0.00 C ATOM 426 CG PRO A 94 52.201 52.558 137.940 1.00 0.00 C ATOM 427 CD PRO A 94 51.414 51.251 138.118 1.00 0.00 C ATOM 0 HA PRO A 94 51.943 51.628 135.174 1.00 0.00 H new ATOM 0 HB2 PRO A 94 54.154 51.864 137.241 1.00 0.00 H new ATOM 0 HB3 PRO A 94 53.456 53.122 136.240 1.00 0.00 H new ATOM 0 HG2 PRO A 94 52.700 52.852 138.864 1.00 0.00 H new ATOM 0 HG3 PRO A 94 51.546 53.382 137.656 1.00 0.00 H new ATOM 0 HD2 PRO A 94 51.775 50.691 138.981 1.00 0.00 H new ATOM 0 HD3 PRO A 94 50.356 51.451 138.288 1.00 0.00 H new ATOM 435 N GLN A 95 53.894 49.170 135.835 1.00 0.00 N ATOM 436 CA GLN A 95 54.874 48.378 135.157 1.00 0.00 C ATOM 437 C GLN A 95 54.274 47.051 134.816 1.00 0.00 C ATOM 438 O GLN A 95 54.981 46.054 134.687 1.00 0.00 O ATOM 439 CB GLN A 95 56.092 48.141 136.063 1.00 0.00 C ATOM 440 CG GLN A 95 57.255 47.416 135.395 1.00 0.00 C ATOM 441 CD GLN A 95 58.377 47.353 136.420 1.00 0.00 C ATOM 442 OE1 GLN A 95 58.282 47.948 137.491 1.00 0.00 O ATOM 443 NE2 GLN A 95 59.472 46.619 136.087 1.00 0.00 N ATOM 0 H GLN A 95 53.595 48.825 136.747 1.00 0.00 H new ATOM 0 HA GLN A 95 55.190 48.904 134.256 1.00 0.00 H new ATOM 0 HB2 GLN A 95 56.446 49.104 136.431 1.00 0.00 H new ATOM 0 HB3 GLN A 95 55.774 47.565 136.932 1.00 0.00 H new ATOM 0 HG2 GLN A 95 56.959 46.414 135.083 1.00 0.00 H new ATOM 0 HG3 GLN A 95 57.578 47.946 134.499 1.00 0.00 H new ATOM 0 HE21 GLN A 95 59.511 46.140 135.187 1.00 0.00 H new ATOM 0 HE22 GLN A 95 60.255 46.547 136.737 1.00 0.00 H new ATOM 452 N LEU A 96 52.948 47.009 134.604 1.00 0.00 N ATOM 453 CA LEU A 96 52.320 45.759 134.296 1.00 0.00 C ATOM 454 C LEU A 96 52.721 45.390 132.900 1.00 0.00 C ATOM 455 O LEU A 96 52.667 46.226 132.000 1.00 0.00 O ATOM 456 CB LEU A 96 50.782 45.844 134.355 1.00 0.00 C ATOM 457 CG LEU A 96 50.053 44.527 134.048 1.00 0.00 C ATOM 458 CD1 LEU A 96 50.392 43.448 135.087 1.00 0.00 C ATOM 459 CD2 LEU A 96 48.539 44.759 133.908 1.00 0.00 C ATOM 0 H LEU A 96 52.323 47.814 134.643 1.00 0.00 H new ATOM 0 HA LEU A 96 52.636 45.020 135.032 1.00 0.00 H new ATOM 0 HB2 LEU A 96 50.488 46.183 135.349 1.00 0.00 H new ATOM 0 HB3 LEU A 96 50.446 46.602 133.648 1.00 0.00 H new ATOM 0 HG LEU A 96 50.407 44.153 133.087 1.00 0.00 H new ATOM 0 HD11 LEU A 96 49.861 42.528 134.843 1.00 0.00 H new ATOM 0 HD12 LEU A 96 51.466 43.260 135.080 1.00 0.00 H new ATOM 0 HD13 LEU A 96 50.090 43.789 136.077 1.00 0.00 H new ATOM 0 HD21 LEU A 96 48.044 43.812 133.691 1.00 0.00 H new ATOM 0 HD22 LEU A 96 48.146 45.169 134.839 1.00 0.00 H new ATOM 0 HD23 LEU A 96 48.352 45.461 133.095 1.00 0.00 H new ATOM 471 N THR A 97 53.135 44.122 132.686 1.00 0.00 N ATOM 472 CA THR A 97 53.563 43.710 131.376 1.00 0.00 C ATOM 473 C THR A 97 52.920 42.401 131.017 1.00 0.00 C ATOM 474 O THR A 97 52.689 41.549 131.877 1.00 0.00 O ATOM 475 CB THR A 97 55.047 43.541 131.267 1.00 0.00 C ATOM 476 OG1 THR A 97 55.695 44.771 131.563 1.00 0.00 O ATOM 477 CG2 THR A 97 55.384 43.092 129.837 1.00 0.00 C ATOM 0 H THR A 97 53.174 43.396 133.401 1.00 0.00 H new ATOM 0 HA THR A 97 53.261 44.505 130.694 1.00 0.00 H new ATOM 0 HB THR A 97 55.392 42.790 131.978 1.00 0.00 H new ATOM 0 HG1 THR A 97 56.665 44.655 131.492 1.00 0.00 H new ATOM 0 HG21 THR A 97 56.462 42.964 129.740 1.00 0.00 H new ATOM 0 HG22 THR A 97 54.886 42.146 129.626 1.00 0.00 H new ATOM 0 HG23 THR A 97 55.043 43.847 129.129 1.00 0.00 H new ATOM 485 N ILE A 98 52.602 42.227 129.711 1.00 0.00 N ATOM 486 CA ILE A 98 51.961 41.030 129.222 1.00 0.00 C ATOM 487 C ILE A 98 52.546 40.614 127.898 1.00 0.00 C ATOM 488 O ILE A 98 53.085 41.435 127.157 1.00 0.00 O ATOM 489 CB ILE A 98 50.484 41.198 129.006 1.00 0.00 C ATOM 490 CG1 ILE A 98 50.215 42.300 127.968 1.00 0.00 C ATOM 491 CG2 ILE A 98 49.829 41.451 130.374 1.00 0.00 C ATOM 492 CD1 ILE A 98 48.768 42.336 127.478 1.00 0.00 C ATOM 0 H ILE A 98 52.791 42.922 128.988 1.00 0.00 H new ATOM 0 HA ILE A 98 52.131 40.280 129.994 1.00 0.00 H new ATOM 0 HB ILE A 98 50.036 40.297 128.586 1.00 0.00 H new ATOM 0 HG12 ILE A 98 50.467 43.267 128.403 1.00 0.00 H new ATOM 0 HG13 ILE A 98 50.876 42.153 127.114 1.00 0.00 H new ATOM 0 HG21 ILE A 98 48.754 41.577 130.245 1.00 0.00 H new ATOM 0 HG22 ILE A 98 50.019 40.602 131.031 1.00 0.00 H new ATOM 0 HG23 ILE A 98 50.249 42.354 130.817 1.00 0.00 H new ATOM 0 HD11 ILE A 98 48.651 43.137 126.748 1.00 0.00 H new ATOM 0 HD12 ILE A 98 48.517 41.382 127.013 1.00 0.00 H new ATOM 0 HD13 ILE A 98 48.102 42.514 128.322 1.00 0.00 H new ATOM 504 N ARG A 99 52.452 39.298 127.582 1.00 0.00 N ATOM 505 CA ARG A 99 52.914 38.759 126.325 1.00 0.00 C ATOM 506 C ARG A 99 51.760 38.808 125.370 1.00 0.00 C ATOM 507 O ARG A 99 50.706 38.222 125.614 1.00 0.00 O ATOM 508 CB ARG A 99 53.371 37.295 126.396 1.00 0.00 C ATOM 509 CG ARG A 99 54.793 37.144 126.924 1.00 0.00 C ATOM 510 CD ARG A 99 55.784 37.899 126.038 1.00 0.00 C ATOM 511 NE ARG A 99 57.156 37.451 126.385 1.00 0.00 N ATOM 512 CZ ARG A 99 58.160 37.622 125.477 1.00 0.00 C ATOM 513 NH1 ARG A 99 57.909 38.220 124.276 1.00 0.00 N ATOM 514 NH2 ARG A 99 59.421 37.194 125.771 1.00 0.00 N ATOM 0 H ARG A 99 52.050 38.599 128.207 1.00 0.00 H new ATOM 0 HA ARG A 99 53.775 39.354 126.021 1.00 0.00 H new ATOM 0 HB2 ARG A 99 52.689 36.737 127.038 1.00 0.00 H new ATOM 0 HB3 ARG A 99 53.308 36.851 125.402 1.00 0.00 H new ATOM 0 HG2 ARG A 99 54.849 37.523 127.945 1.00 0.00 H new ATOM 0 HG3 ARG A 99 55.062 36.088 126.961 1.00 0.00 H new ATOM 0 HD2 ARG A 99 55.576 37.705 124.986 1.00 0.00 H new ATOM 0 HD3 ARG A 99 55.686 38.974 126.190 1.00 0.00 H new ATOM 0 HE ARG A 99 57.346 37.021 127.290 1.00 0.00 H new ATOM 0 HH11 ARG A 99 56.967 38.542 124.053 1.00 0.00 H new ATOM 0 HH12 ARG A 99 58.663 38.345 123.601 1.00 0.00 H new ATOM 0 HH21 ARG A 99 59.612 36.747 126.668 1.00 0.00 H new ATOM 0 HH22 ARG A 99 60.173 37.321 125.094 1.00 0.00 H new ATOM 528 N VAL A 100 51.910 39.638 124.319 1.00 0.00 N ATOM 529 CA VAL A 100 50.886 39.853 123.338 1.00 0.00 C ATOM 530 C VAL A 100 50.853 38.856 122.209 1.00 0.00 C ATOM 531 O VAL A 100 49.785 38.365 121.842 1.00 0.00 O ATOM 532 CB VAL A 100 50.985 41.229 122.760 1.00 0.00 C ATOM 533 CG1 VAL A 100 49.744 41.451 121.903 1.00 0.00 C ATOM 534 CG2 VAL A 100 51.146 42.256 123.889 1.00 0.00 C ATOM 0 H VAL A 100 52.762 40.172 124.146 1.00 0.00 H new ATOM 0 HA VAL A 100 49.957 39.720 123.892 1.00 0.00 H new ATOM 0 HB VAL A 100 51.863 41.348 122.126 1.00 0.00 H new ATOM 0 HG11 VAL A 100 49.780 42.447 121.463 1.00 0.00 H new ATOM 0 HG12 VAL A 100 49.711 40.704 121.110 1.00 0.00 H new ATOM 0 HG13 VAL A 100 48.852 41.360 122.523 1.00 0.00 H new ATOM 0 HG21 VAL A 100 51.218 43.257 123.463 1.00 0.00 H new ATOM 0 HG22 VAL A 100 50.283 42.205 124.553 1.00 0.00 H new ATOM 0 HG23 VAL A 100 52.052 42.036 124.454 1.00 0.00 H new ATOM 544 N SER A 101 52.015 38.571 121.578 1.00 0.00 N ATOM 545 CA SER A 101 52.004 37.618 120.501 1.00 0.00 C ATOM 546 C SER A 101 53.416 37.414 120.025 1.00 0.00 C ATOM 547 O SER A 101 53.688 37.437 118.823 1.00 0.00 O ATOM 548 CB SER A 101 51.158 38.087 119.304 1.00 0.00 C ATOM 549 OG SER A 101 51.156 37.100 118.283 1.00 0.00 O ATOM 0 H SER A 101 52.923 38.979 121.800 1.00 0.00 H new ATOM 0 HA SER A 101 51.565 36.697 120.884 1.00 0.00 H new ATOM 0 HB2 SER A 101 50.137 38.286 119.628 1.00 0.00 H new ATOM 0 HB3 SER A 101 51.557 39.023 118.913 1.00 0.00 H new ATOM 0 HG SER A 101 52.074 36.942 117.979 1.00 0.00 H new ATOM 555 N GLY A 102 54.335 37.102 120.961 1.00 0.00 N ATOM 556 CA GLY A 102 55.715 36.914 120.613 1.00 0.00 C ATOM 557 C GLY A 102 56.524 38.064 121.141 1.00 0.00 C ATOM 558 O GLY A 102 57.747 38.071 121.009 1.00 0.00 O ATOM 0 H GLY A 102 54.126 36.980 121.952 1.00 0.00 H new ATOM 0 HA2 GLY A 102 56.082 35.976 121.029 1.00 0.00 H new ATOM 0 HA3 GLY A 102 55.822 36.846 119.530 1.00 0.00 H new ATOM 562 N TYR A 103 55.858 39.079 121.730 1.00 0.00 N ATOM 563 CA TYR A 103 56.551 40.199 122.307 1.00 0.00 C ATOM 564 C TYR A 103 55.799 40.614 123.542 1.00 0.00 C ATOM 565 O TYR A 103 54.699 40.123 123.789 1.00 0.00 O ATOM 566 CB TYR A 103 56.641 41.411 121.364 1.00 0.00 C ATOM 567 CG TYR A 103 55.262 41.899 121.078 1.00 0.00 C ATOM 568 CD1 TYR A 103 54.494 41.276 120.122 1.00 0.00 C ATOM 569 CD2 TYR A 103 54.730 42.961 121.768 1.00 0.00 C ATOM 570 CE1 TYR A 103 53.221 41.720 119.848 1.00 0.00 C ATOM 571 CE2 TYR A 103 53.460 43.409 121.498 1.00 0.00 C ATOM 572 CZ TYR A 103 52.701 42.788 120.537 1.00 0.00 C ATOM 573 OH TYR A 103 51.396 43.245 120.259 1.00 0.00 O ATOM 0 H TYR A 103 54.842 39.126 121.807 1.00 0.00 H new ATOM 0 HA TYR A 103 57.572 39.884 122.521 1.00 0.00 H new ATOM 0 HB2 TYR A 103 57.234 42.202 121.822 1.00 0.00 H new ATOM 0 HB3 TYR A 103 57.143 41.132 120.437 1.00 0.00 H new ATOM 0 HD1 TYR A 103 54.894 40.431 119.582 1.00 0.00 H new ATOM 0 HD2 TYR A 103 55.317 43.449 122.532 1.00 0.00 H new ATOM 0 HE1 TYR A 103 52.630 41.228 119.090 1.00 0.00 H new ATOM 0 HE2 TYR A 103 53.058 44.251 122.042 1.00 0.00 H new ATOM 0 HH TYR A 103 51.144 43.932 120.911 1.00 0.00 H new ATOM 583 N ALA A 104 56.385 41.512 124.369 1.00 0.00 N ATOM 584 CA ALA A 104 55.727 41.940 125.576 1.00 0.00 C ATOM 585 C ALA A 104 55.489 43.414 125.482 1.00 0.00 C ATOM 586 O ALA A 104 56.195 44.116 124.759 1.00 0.00 O ATOM 587 CB ALA A 104 56.562 41.704 126.847 1.00 0.00 C ATOM 0 H ALA A 104 57.299 41.935 124.206 1.00 0.00 H new ATOM 0 HA ALA A 104 54.810 41.357 125.658 1.00 0.00 H new ATOM 0 HB1 ALA A 104 56.005 42.050 127.718 1.00 0.00 H new ATOM 0 HB2 ALA A 104 56.774 40.640 126.951 1.00 0.00 H new ATOM 0 HB3 ALA A 104 57.500 42.255 126.774 1.00 0.00 H new ATOM 593 N VAL A 105 54.443 43.912 126.182 1.00 0.00 N ATOM 594 CA VAL A 105 54.160 45.319 126.181 1.00 0.00 C ATOM 595 C VAL A 105 53.515 45.666 127.486 1.00 0.00 C ATOM 596 O VAL A 105 52.932 44.815 128.155 1.00 0.00 O ATOM 597 CB VAL A 105 53.204 45.739 125.102 1.00 0.00 C ATOM 598 CG1 VAL A 105 53.871 45.528 123.732 1.00 0.00 C ATOM 599 CG2 VAL A 105 51.895 44.944 125.278 1.00 0.00 C ATOM 0 H VAL A 105 53.803 43.347 126.740 1.00 0.00 H new ATOM 0 HA VAL A 105 55.108 45.830 126.013 1.00 0.00 H new ATOM 0 HB VAL A 105 52.953 46.798 125.168 1.00 0.00 H new ATOM 0 HG11 VAL A 105 53.183 45.831 122.942 1.00 0.00 H new ATOM 0 HG12 VAL A 105 54.779 46.129 123.673 1.00 0.00 H new ATOM 0 HG13 VAL A 105 54.124 44.475 123.609 1.00 0.00 H new ATOM 0 HG21 VAL A 105 51.186 45.235 124.503 1.00 0.00 H new ATOM 0 HG22 VAL A 105 52.104 43.877 125.197 1.00 0.00 H new ATOM 0 HG23 VAL A 105 51.469 45.157 126.258 1.00 0.00 H new ATOM 609 N ARG A 106 53.630 46.941 127.902 1.00 0.00 N ATOM 610 CA ARG A 106 52.960 47.351 129.098 1.00 0.00 C ATOM 611 C ARG A 106 51.520 47.471 128.723 1.00 0.00 C ATOM 612 O ARG A 106 51.192 47.893 127.616 1.00 0.00 O ATOM 613 CB ARG A 106 53.424 48.705 129.652 1.00 0.00 C ATOM 614 CG ARG A 106 53.311 49.849 128.643 1.00 0.00 C ATOM 615 CD ARG A 106 53.558 51.228 129.254 1.00 0.00 C ATOM 616 NE ARG A 106 53.808 52.169 128.129 1.00 0.00 N ATOM 617 CZ ARG A 106 55.092 52.338 127.702 1.00 0.00 C ATOM 618 NH1 ARG A 106 56.099 51.671 128.339 1.00 0.00 N ATOM 619 NH2 ARG A 106 55.372 53.154 126.645 1.00 0.00 N ATOM 0 H ARG A 106 54.168 47.667 127.429 1.00 0.00 H new ATOM 0 HA ARG A 106 53.169 46.622 129.881 1.00 0.00 H new ATOM 0 HB2 ARG A 106 52.832 48.950 130.534 1.00 0.00 H new ATOM 0 HB3 ARG A 106 54.461 48.619 129.977 1.00 0.00 H new ATOM 0 HG2 ARG A 106 54.026 49.684 127.837 1.00 0.00 H new ATOM 0 HG3 ARG A 106 52.317 49.831 128.196 1.00 0.00 H new ATOM 0 HD2 ARG A 106 52.697 51.549 129.840 1.00 0.00 H new ATOM 0 HD3 ARG A 106 54.412 51.202 129.931 1.00 0.00 H new ATOM 0 HE ARG A 106 53.039 52.674 127.689 1.00 0.00 H new ATOM 0 HH11 ARG A 106 55.886 51.055 129.124 1.00 0.00 H new ATOM 0 HH12 ARG A 106 57.064 51.788 128.030 1.00 0.00 H new ATOM 0 HH21 ARG A 106 54.617 53.645 126.166 1.00 0.00 H new ATOM 0 HH22 ARG A 106 56.336 53.273 126.334 1.00 0.00 H new ATOM 633 N PHE A 107 50.613 47.103 129.642 1.00 0.00 N ATOM 634 CA PHE A 107 49.212 47.104 129.332 1.00 0.00 C ATOM 635 C PHE A 107 48.769 48.508 129.041 1.00 0.00 C ATOM 636 O PHE A 107 47.962 48.748 128.145 1.00 0.00 O ATOM 637 CB PHE A 107 48.344 46.543 130.476 1.00 0.00 C ATOM 638 CG PHE A 107 46.970 46.252 129.966 1.00 0.00 C ATOM 639 CD1 PHE A 107 46.748 45.142 129.182 1.00 0.00 C ATOM 640 CD2 PHE A 107 45.895 47.055 130.282 1.00 0.00 C ATOM 641 CE1 PHE A 107 45.493 44.844 128.709 1.00 0.00 C ATOM 642 CE2 PHE A 107 44.635 46.762 129.814 1.00 0.00 C ATOM 643 CZ PHE A 107 44.431 45.656 129.025 1.00 0.00 C ATOM 0 H PHE A 107 50.842 46.807 130.591 1.00 0.00 H new ATOM 0 HA PHE A 107 49.078 46.457 128.465 1.00 0.00 H new ATOM 0 HB2 PHE A 107 48.794 45.635 130.876 1.00 0.00 H new ATOM 0 HB3 PHE A 107 48.295 47.261 131.294 1.00 0.00 H new ATOM 0 HD1 PHE A 107 47.576 44.494 128.934 1.00 0.00 H new ATOM 0 HD2 PHE A 107 46.044 47.925 130.905 1.00 0.00 H new ATOM 0 HE1 PHE A 107 45.342 43.972 128.089 1.00 0.00 H new ATOM 0 HE2 PHE A 107 43.804 47.403 130.068 1.00 0.00 H new ATOM 0 HZ PHE A 107 43.442 45.426 128.656 1.00 0.00 H new ATOM 653 N ASN A 108 49.304 49.479 129.797 1.00 0.00 N ATOM 654 CA ASN A 108 48.938 50.866 129.704 1.00 0.00 C ATOM 655 C ASN A 108 49.325 51.448 128.374 1.00 0.00 C ATOM 656 O ASN A 108 48.791 52.482 127.978 1.00 0.00 O ATOM 657 CB ASN A 108 49.572 51.704 130.822 1.00 0.00 C ATOM 658 CG ASN A 108 48.938 51.216 132.116 1.00 0.00 C ATOM 659 OD1 ASN A 108 47.900 50.555 132.097 1.00 0.00 O ATOM 660 ND2 ASN A 108 49.568 51.544 133.274 1.00 0.00 N ATOM 0 H ASN A 108 50.019 49.298 130.502 1.00 0.00 H new ATOM 0 HA ASN A 108 47.854 50.903 129.812 1.00 0.00 H new ATOM 0 HB2 ASN A 108 50.654 51.573 130.843 1.00 0.00 H new ATOM 0 HB3 ASN A 108 49.382 52.767 130.670 1.00 0.00 H new ATOM 0 HD21 ASN A 108 49.182 51.241 134.168 1.00 0.00 H new ATOM 0 HD22 ASN A 108 50.427 52.094 133.249 1.00 0.00 H new ATOM 667 N SER A 109 50.319 50.852 127.686 1.00 0.00 N ATOM 668 CA SER A 109 50.786 51.366 126.425 1.00 0.00 C ATOM 669 C SER A 109 49.787 51.163 125.317 1.00 0.00 C ATOM 670 O SER A 109 49.814 51.914 124.344 1.00 0.00 O ATOM 671 CB SER A 109 52.115 50.730 125.974 1.00 0.00 C ATOM 672 OG SER A 109 51.928 49.364 125.635 1.00 0.00 O ATOM 0 H SER A 109 50.803 50.011 128.001 1.00 0.00 H new ATOM 0 HA SER A 109 50.934 52.431 126.605 1.00 0.00 H new ATOM 0 HB2 SER A 109 52.510 51.272 125.115 1.00 0.00 H new ATOM 0 HB3 SER A 109 52.853 50.814 126.771 1.00 0.00 H new ATOM 0 HG SER A 109 51.472 48.904 126.370 1.00 0.00 H new ATOM 678 N LEU A 110 48.890 50.157 125.418 1.00 0.00 N ATOM 679 CA LEU A 110 47.971 49.812 124.355 1.00 0.00 C ATOM 680 C LEU A 110 46.823 50.777 124.267 1.00 0.00 C ATOM 681 O LEU A 110 46.525 51.510 125.207 1.00 0.00 O ATOM 682 CB LEU A 110 47.345 48.412 124.515 1.00 0.00 C ATOM 683 CG LEU A 110 48.366 47.259 124.472 1.00 0.00 C ATOM 684 CD1 LEU A 110 47.671 45.893 124.604 1.00 0.00 C ATOM 685 CD2 LEU A 110 49.261 47.351 123.227 1.00 0.00 C ATOM 0 H LEU A 110 48.797 49.571 126.248 1.00 0.00 H new ATOM 0 HA LEU A 110 48.587 49.843 123.457 1.00 0.00 H new ATOM 0 HB2 LEU A 110 46.807 48.372 125.462 1.00 0.00 H new ATOM 0 HB3 LEU A 110 46.610 48.262 123.725 1.00 0.00 H new ATOM 0 HG LEU A 110 49.025 47.358 125.335 1.00 0.00 H new ATOM 0 HD11 LEU A 110 48.418 45.100 124.570 1.00 0.00 H new ATOM 0 HD12 LEU A 110 47.136 45.847 125.552 1.00 0.00 H new ATOM 0 HD13 LEU A 110 46.966 45.763 123.783 1.00 0.00 H new ATOM 0 HD21 LEU A 110 49.970 46.523 123.227 1.00 0.00 H new ATOM 0 HD22 LEU A 110 48.643 47.300 122.330 1.00 0.00 H new ATOM 0 HD23 LEU A 110 49.806 48.295 123.239 1.00 0.00 H new ATOM 697 N THR A 111 46.161 50.805 123.086 1.00 0.00 N ATOM 698 CA THR A 111 45.009 51.637 122.866 1.00 0.00 C ATOM 699 C THR A 111 43.820 50.863 123.349 1.00 0.00 C ATOM 700 O THR A 111 43.928 49.684 123.675 1.00 0.00 O ATOM 701 CB THR A 111 44.789 52.003 121.423 1.00 0.00 C ATOM 702 OG1 THR A 111 44.538 50.841 120.645 1.00 0.00 O ATOM 703 CG2 THR A 111 46.045 52.727 120.907 1.00 0.00 C ATOM 0 H THR A 111 46.429 50.245 122.277 1.00 0.00 H new ATOM 0 HA THR A 111 45.162 52.576 123.399 1.00 0.00 H new ATOM 0 HB THR A 111 43.920 52.656 121.339 1.00 0.00 H new ATOM 0 HG1 THR A 111 44.396 51.098 119.710 1.00 0.00 H new ATOM 0 HG21 THR A 111 45.904 53.000 119.861 1.00 0.00 H new ATOM 0 HG22 THR A 111 46.214 53.627 121.498 1.00 0.00 H new ATOM 0 HG23 THR A 111 46.908 52.067 120.996 1.00 0.00 H new ATOM 711 N PRO A 112 42.683 51.498 123.433 1.00 0.00 N ATOM 712 CA PRO A 112 41.524 50.830 123.950 1.00 0.00 C ATOM 713 C PRO A 112 41.113 49.654 123.127 1.00 0.00 C ATOM 714 O PRO A 112 40.689 48.649 123.696 1.00 0.00 O ATOM 715 CB PRO A 112 40.456 51.912 124.093 1.00 0.00 C ATOM 716 CG PRO A 112 41.273 53.202 124.305 1.00 0.00 C ATOM 717 CD PRO A 112 42.606 52.943 123.577 1.00 0.00 C ATOM 0 HA PRO A 112 41.721 50.372 124.919 1.00 0.00 H new ATOM 0 HB2 PRO A 112 39.829 51.976 123.204 1.00 0.00 H new ATOM 0 HB3 PRO A 112 39.794 51.713 124.936 1.00 0.00 H new ATOM 0 HG2 PRO A 112 40.758 54.069 123.892 1.00 0.00 H new ATOM 0 HG3 PRO A 112 41.432 53.400 125.365 1.00 0.00 H new ATOM 0 HD2 PRO A 112 42.628 53.438 122.606 1.00 0.00 H new ATOM 0 HD3 PRO A 112 43.450 53.328 124.150 1.00 0.00 H new ATOM 725 N GLU A 113 41.215 49.757 121.790 1.00 0.00 N ATOM 726 CA GLU A 113 40.812 48.673 120.945 1.00 0.00 C ATOM 727 C GLU A 113 41.769 47.537 121.097 1.00 0.00 C ATOM 728 O GLU A 113 41.369 46.375 121.118 1.00 0.00 O ATOM 729 CB GLU A 113 40.761 49.048 119.455 1.00 0.00 C ATOM 730 CG GLU A 113 40.059 47.982 118.615 1.00 0.00 C ATOM 731 CD GLU A 113 38.589 47.993 119.012 1.00 0.00 C ATOM 732 OE1 GLU A 113 38.158 49.002 119.633 1.00 0.00 O ATOM 733 OE2 GLU A 113 37.881 46.997 118.710 1.00 0.00 O ATOM 0 H GLU A 113 41.571 50.577 121.298 1.00 0.00 H new ATOM 0 HA GLU A 113 39.804 48.401 121.259 1.00 0.00 H new ATOM 0 HB2 GLU A 113 40.242 49.999 119.339 1.00 0.00 H new ATOM 0 HB3 GLU A 113 41.776 49.191 119.083 1.00 0.00 H new ATOM 0 HG2 GLU A 113 40.172 48.194 117.552 1.00 0.00 H new ATOM 0 HG3 GLU A 113 40.498 47.001 118.793 1.00 0.00 H new ATOM 740 N GLN A 114 43.072 47.856 121.202 1.00 0.00 N ATOM 741 CA GLN A 114 44.110 46.869 121.284 1.00 0.00 C ATOM 742 C GLN A 114 43.958 46.102 122.560 1.00 0.00 C ATOM 743 O GLN A 114 44.169 44.892 122.596 1.00 0.00 O ATOM 744 CB GLN A 114 45.508 47.503 121.239 1.00 0.00 C ATOM 745 CG GLN A 114 45.770 48.232 119.917 1.00 0.00 C ATOM 746 CD GLN A 114 47.147 48.877 119.978 1.00 0.00 C ATOM 747 OE1 GLN A 114 47.465 49.616 120.908 1.00 0.00 O ATOM 748 NE2 GLN A 114 47.988 48.593 118.950 1.00 0.00 N ATOM 0 H GLN A 114 43.413 48.817 121.231 1.00 0.00 H new ATOM 0 HA GLN A 114 44.014 46.208 120.423 1.00 0.00 H new ATOM 0 HB2 GLN A 114 45.614 48.205 122.066 1.00 0.00 H new ATOM 0 HB3 GLN A 114 46.261 46.728 121.380 1.00 0.00 H new ATOM 0 HG2 GLN A 114 45.718 47.532 119.083 1.00 0.00 H new ATOM 0 HG3 GLN A 114 45.005 48.990 119.746 1.00 0.00 H new ATOM 0 HE21 GLN A 114 47.684 47.974 118.198 1.00 0.00 H new ATOM 0 HE22 GLN A 114 48.924 48.998 118.930 1.00 0.00 H new ATOM 757 N GLN A 115 43.605 46.791 123.658 1.00 0.00 N ATOM 758 CA GLN A 115 43.426 46.108 124.903 1.00 0.00 C ATOM 759 C GLN A 115 42.214 45.242 124.782 1.00 0.00 C ATOM 760 O GLN A 115 42.129 44.167 125.377 1.00 0.00 O ATOM 761 CB GLN A 115 43.317 47.039 126.122 1.00 0.00 C ATOM 762 CG GLN A 115 42.107 47.965 126.129 1.00 0.00 C ATOM 763 CD GLN A 115 42.191 48.789 127.407 1.00 0.00 C ATOM 764 OE1 GLN A 115 41.257 49.512 127.755 1.00 0.00 O ATOM 765 NE2 GLN A 115 43.340 48.679 128.125 1.00 0.00 N ATOM 0 H GLN A 115 43.446 47.798 123.688 1.00 0.00 H new ATOM 0 HA GLN A 115 44.320 45.513 125.090 1.00 0.00 H new ATOM 0 HB2 GLN A 115 43.291 46.428 127.024 1.00 0.00 H new ATOM 0 HB3 GLN A 115 44.220 47.648 126.175 1.00 0.00 H new ATOM 0 HG2 GLN A 115 42.110 48.611 125.251 1.00 0.00 H new ATOM 0 HG3 GLN A 115 41.181 47.391 126.099 1.00 0.00 H new ATOM 0 HE21 GLN A 115 44.089 48.068 127.799 1.00 0.00 H new ATOM 0 HE22 GLN A 115 43.454 49.208 128.990 1.00 0.00 H new ATOM 774 N ARG A 116 41.242 45.694 123.972 1.00 0.00 N ATOM 775 CA ARG A 116 40.024 44.971 123.795 1.00 0.00 C ATOM 776 C ARG A 116 40.355 43.605 123.284 1.00 0.00 C ATOM 777 O ARG A 116 39.744 42.627 123.709 1.00 0.00 O ATOM 778 CB ARG A 116 39.092 45.623 122.758 1.00 0.00 C ATOM 779 CG ARG A 116 38.479 46.947 123.218 1.00 0.00 C ATOM 780 CD ARG A 116 37.544 47.577 122.181 1.00 0.00 C ATOM 781 NE ARG A 116 36.821 48.695 122.851 1.00 0.00 N ATOM 782 CZ ARG A 116 35.674 48.440 123.548 1.00 0.00 C ATOM 783 NH1 ARG A 116 35.188 47.167 123.620 1.00 0.00 N ATOM 784 NH2 ARG A 116 35.009 49.455 124.171 1.00 0.00 N ATOM 0 H ARG A 116 41.300 46.562 123.439 1.00 0.00 H new ATOM 0 HA ARG A 116 39.516 44.953 124.759 1.00 0.00 H new ATOM 0 HB2 ARG A 116 39.652 45.794 121.838 1.00 0.00 H new ATOM 0 HB3 ARG A 116 38.289 44.926 122.518 1.00 0.00 H new ATOM 0 HG2 ARG A 116 37.925 46.781 124.142 1.00 0.00 H new ATOM 0 HG3 ARG A 116 39.280 47.649 123.448 1.00 0.00 H new ATOM 0 HD2 ARG A 116 38.112 47.945 121.326 1.00 0.00 H new ATOM 0 HD3 ARG A 116 36.839 46.838 121.801 1.00 0.00 H new ATOM 0 HE ARG A 116 37.181 49.647 122.789 1.00 0.00 H new ATOM 0 HH11 ARG A 116 35.681 46.406 123.153 1.00 0.00 H new ATOM 0 HH12 ARG A 116 34.332 46.977 124.140 1.00 0.00 H new ATOM 0 HH21 ARG A 116 35.368 50.408 124.117 1.00 0.00 H new ATOM 0 HH22 ARG A 116 34.153 49.261 124.690 1.00 0.00 H new ATOM 798 N ASP A 117 41.322 43.489 122.350 1.00 0.00 N ATOM 799 CA ASP A 117 41.582 42.177 121.838 1.00 0.00 C ATOM 800 C ASP A 117 42.189 41.312 122.904 1.00 0.00 C ATOM 801 O ASP A 117 41.916 40.115 122.956 1.00 0.00 O ATOM 802 CB ASP A 117 42.404 42.091 120.520 1.00 0.00 C ATOM 803 CG ASP A 117 43.884 42.465 120.606 1.00 0.00 C ATOM 804 OD1 ASP A 117 44.468 42.533 121.718 1.00 0.00 O ATOM 805 OD2 ASP A 117 44.462 42.667 119.506 1.00 0.00 O ATOM 0 H ASP A 117 41.889 44.247 121.971 1.00 0.00 H new ATOM 0 HA ASP A 117 40.599 41.805 121.549 1.00 0.00 H new ATOM 0 HB2 ASP A 117 42.333 41.072 120.141 1.00 0.00 H new ATOM 0 HB3 ASP A 117 41.932 42.740 119.782 1.00 0.00 H new ATOM 810 N VAL A 118 43.021 41.892 123.794 1.00 0.00 N ATOM 811 CA VAL A 118 43.706 41.117 124.792 1.00 0.00 C ATOM 812 C VAL A 118 42.730 40.469 125.733 1.00 0.00 C ATOM 813 O VAL A 118 42.764 39.256 125.934 1.00 0.00 O ATOM 814 CB VAL A 118 44.605 41.958 125.653 1.00 0.00 C ATOM 815 CG1 VAL A 118 45.275 41.053 126.698 1.00 0.00 C ATOM 816 CG2 VAL A 118 45.580 42.736 124.758 1.00 0.00 C ATOM 0 H VAL A 118 43.219 42.892 123.824 1.00 0.00 H new ATOM 0 HA VAL A 118 44.287 40.382 124.236 1.00 0.00 H new ATOM 0 HB VAL A 118 44.050 42.712 126.212 1.00 0.00 H new ATOM 0 HG11 VAL A 118 45.931 41.651 127.330 1.00 0.00 H new ATOM 0 HG12 VAL A 118 44.510 40.580 127.314 1.00 0.00 H new ATOM 0 HG13 VAL A 118 45.860 40.285 126.192 1.00 0.00 H new ATOM 0 HG21 VAL A 118 46.235 43.348 125.379 1.00 0.00 H new ATOM 0 HG22 VAL A 118 46.181 42.035 124.179 1.00 0.00 H new ATOM 0 HG23 VAL A 118 45.018 43.379 124.080 1.00 0.00 H new ATOM 826 N ILE A 119 41.793 41.261 126.287 1.00 0.00 N ATOM 827 CA ILE A 119 40.885 40.802 127.304 1.00 0.00 C ATOM 828 C ILE A 119 40.059 39.682 126.761 1.00 0.00 C ATOM 829 O ILE A 119 39.739 38.737 127.478 1.00 0.00 O ATOM 830 CB ILE A 119 39.937 41.876 127.745 1.00 0.00 C ATOM 831 CG1 ILE A 119 40.717 43.101 128.235 1.00 0.00 C ATOM 832 CG2 ILE A 119 39.048 41.284 128.846 1.00 0.00 C ATOM 833 CD1 ILE A 119 41.598 42.804 129.449 1.00 0.00 C ATOM 0 H ILE A 119 41.660 42.238 126.027 1.00 0.00 H new ATOM 0 HA ILE A 119 41.492 40.489 128.154 1.00 0.00 H new ATOM 0 HB ILE A 119 39.312 42.213 126.918 1.00 0.00 H new ATOM 0 HG12 ILE A 119 41.341 43.476 127.424 1.00 0.00 H new ATOM 0 HG13 ILE A 119 40.014 43.894 128.489 1.00 0.00 H new ATOM 0 HG21 ILE A 119 38.344 42.041 129.191 1.00 0.00 H new ATOM 0 HG22 ILE A 119 38.498 40.430 128.450 1.00 0.00 H new ATOM 0 HG23 ILE A 119 39.670 40.959 129.680 1.00 0.00 H new ATOM 0 HD11 ILE A 119 42.124 43.711 129.748 1.00 0.00 H new ATOM 0 HD12 ILE A 119 40.976 42.457 130.274 1.00 0.00 H new ATOM 0 HD13 ILE A 119 42.323 42.032 129.192 1.00 0.00 H new ATOM 845 N ALA A 120 39.676 39.791 125.478 1.00 0.00 N ATOM 846 CA ALA A 120 38.833 38.862 124.780 1.00 0.00 C ATOM 847 C ALA A 120 39.472 37.509 124.657 1.00 0.00 C ATOM 848 O ALA A 120 38.762 36.511 124.568 1.00 0.00 O ATOM 849 CB ALA A 120 38.471 39.331 123.361 1.00 0.00 C ATOM 0 H ALA A 120 39.970 40.571 124.891 1.00 0.00 H new ATOM 0 HA ALA A 120 37.928 38.803 125.384 1.00 0.00 H new ATOM 0 HB1 ALA A 120 37.833 38.587 122.884 1.00 0.00 H new ATOM 0 HB2 ALA A 120 37.942 40.282 123.416 1.00 0.00 H new ATOM 0 HB3 ALA A 120 39.382 39.456 122.776 1.00 0.00 H new ATOM 855 N ARG A 121 40.816 37.445 124.605 1.00 0.00 N ATOM 856 CA ARG A 121 41.585 36.249 124.364 1.00 0.00 C ATOM 857 C ARG A 121 41.323 35.195 125.404 1.00 0.00 C ATOM 858 O ARG A 121 40.750 35.448 126.463 1.00 0.00 O ATOM 859 CB ARG A 121 43.096 36.538 124.317 1.00 0.00 C ATOM 860 CG ARG A 121 43.472 37.507 123.190 1.00 0.00 C ATOM 861 CD ARG A 121 44.940 37.939 123.204 1.00 0.00 C ATOM 862 NE ARG A 121 45.157 38.820 122.021 1.00 0.00 N ATOM 863 CZ ARG A 121 46.209 39.690 122.001 1.00 0.00 C ATOM 864 NH1 ARG A 121 47.033 39.789 123.085 1.00 0.00 N ATOM 865 NH2 ARG A 121 46.440 40.461 120.898 1.00 0.00 N ATOM 0 H ARG A 121 41.402 38.269 124.738 1.00 0.00 H new ATOM 0 HA ARG A 121 41.263 35.878 123.391 1.00 0.00 H new ATOM 0 HB2 ARG A 121 43.413 36.956 125.272 1.00 0.00 H new ATOM 0 HB3 ARG A 121 43.638 35.602 124.183 1.00 0.00 H new ATOM 0 HG2 ARG A 121 43.252 37.037 122.232 1.00 0.00 H new ATOM 0 HG3 ARG A 121 42.842 38.394 123.262 1.00 0.00 H new ATOM 0 HD2 ARG A 121 45.175 38.470 124.126 1.00 0.00 H new ATOM 0 HD3 ARG A 121 45.596 37.070 123.161 1.00 0.00 H new ATOM 0 HE ARG A 121 44.519 38.773 121.226 1.00 0.00 H new ATOM 0 HH11 ARG A 121 46.863 39.213 123.909 1.00 0.00 H new ATOM 0 HH12 ARG A 121 47.819 40.439 123.070 1.00 0.00 H new ATOM 0 HH21 ARG A 121 45.826 40.388 120.087 1.00 0.00 H new ATOM 0 HH22 ARG A 121 47.227 41.110 120.885 1.00 0.00 H new ATOM 879 N THR A 122 41.715 33.941 125.081 1.00 0.00 N ATOM 880 CA THR A 122 41.450 32.821 125.937 1.00 0.00 C ATOM 881 C THR A 122 42.383 32.804 127.109 1.00 0.00 C ATOM 882 O THR A 122 43.599 32.941 126.976 1.00 0.00 O ATOM 883 CB THR A 122 41.583 31.502 125.234 1.00 0.00 C ATOM 884 OG1 THR A 122 40.707 31.458 124.116 1.00 0.00 O ATOM 885 CG2 THR A 122 41.231 30.373 126.219 1.00 0.00 C ATOM 0 H THR A 122 42.216 33.706 124.224 1.00 0.00 H new ATOM 0 HA THR A 122 40.418 32.947 126.263 1.00 0.00 H new ATOM 0 HB THR A 122 42.607 31.376 124.881 1.00 0.00 H new ATOM 0 HG1 THR A 122 40.800 30.595 123.661 1.00 0.00 H new ATOM 0 HG21 THR A 122 41.325 29.410 125.717 1.00 0.00 H new ATOM 0 HG22 THR A 122 41.912 30.407 127.070 1.00 0.00 H new ATOM 0 HG23 THR A 122 40.207 30.502 126.569 1.00 0.00 H new ATOM 893 N PHE A 123 41.799 32.638 128.312 1.00 0.00 N ATOM 894 CA PHE A 123 42.554 32.493 129.521 1.00 0.00 C ATOM 895 C PHE A 123 42.324 31.078 129.935 1.00 0.00 C ATOM 896 O PHE A 123 41.235 30.734 130.390 1.00 0.00 O ATOM 897 CB PHE A 123 42.038 33.364 130.676 1.00 0.00 C ATOM 898 CG PHE A 123 42.385 34.784 130.408 1.00 0.00 C ATOM 899 CD1 PHE A 123 41.722 35.507 129.442 1.00 0.00 C ATOM 900 CD2 PHE A 123 43.362 35.398 131.156 1.00 0.00 C ATOM 901 CE1 PHE A 123 42.051 36.823 129.214 1.00 0.00 C ATOM 902 CE2 PHE A 123 43.693 36.713 130.932 1.00 0.00 C ATOM 903 CZ PHE A 123 43.039 37.425 129.956 1.00 0.00 C ATOM 0 H PHE A 123 40.789 32.604 128.447 1.00 0.00 H new ATOM 0 HA PHE A 123 43.589 32.778 129.332 1.00 0.00 H new ATOM 0 HB2 PHE A 123 40.958 33.254 130.777 1.00 0.00 H new ATOM 0 HB3 PHE A 123 42.481 33.040 131.618 1.00 0.00 H new ATOM 0 HD1 PHE A 123 40.941 35.039 128.861 1.00 0.00 H new ATOM 0 HD2 PHE A 123 43.874 34.841 131.927 1.00 0.00 H new ATOM 0 HE1 PHE A 123 41.532 37.384 128.451 1.00 0.00 H new ATOM 0 HE2 PHE A 123 44.465 37.185 131.522 1.00 0.00 H new ATOM 0 HZ PHE A 123 43.301 38.456 129.772 1.00 0.00 H new ATOM 913 N THR A 124 43.356 30.221 129.818 1.00 0.00 N ATOM 914 CA THR A 124 43.131 28.832 130.089 1.00 0.00 C ATOM 915 C THR A 124 42.920 28.636 131.556 1.00 0.00 C ATOM 916 O THR A 124 43.761 29.006 132.375 1.00 0.00 O ATOM 917 CB THR A 124 44.257 27.943 129.654 1.00 0.00 C ATOM 918 OG1 THR A 124 44.515 28.125 128.270 1.00 0.00 O ATOM 919 CG2 THR A 124 43.838 26.485 129.899 1.00 0.00 C ATOM 0 H THR A 124 44.307 30.473 129.548 1.00 0.00 H new ATOM 0 HA THR A 124 42.250 28.550 129.512 1.00 0.00 H new ATOM 0 HB THR A 124 45.158 28.187 130.216 1.00 0.00 H new ATOM 0 HG1 THR A 124 45.253 27.542 127.995 1.00 0.00 H new ATOM 0 HG21 THR A 124 44.643 25.818 129.590 1.00 0.00 H new ATOM 0 HG22 THR A 124 43.633 26.339 130.960 1.00 0.00 H new ATOM 0 HG23 THR A 124 42.940 26.263 129.322 1.00 0.00 H new ATOM 927 N GLU A 125 41.734 28.104 131.917 1.00 0.00 N ATOM 928 CA GLU A 125 41.398 27.796 133.277 1.00 0.00 C ATOM 929 C GLU A 125 42.120 26.548 133.706 1.00 0.00 C ATOM 930 O GLU A 125 42.693 26.482 134.793 1.00 0.00 O ATOM 931 CB GLU A 125 39.894 27.531 133.458 1.00 0.00 C ATOM 932 CG GLU A 125 38.996 28.670 132.961 1.00 0.00 C ATOM 933 CD GLU A 125 39.389 29.983 133.629 1.00 0.00 C ATOM 934 OE1 GLU A 125 39.448 30.031 134.886 1.00 0.00 O ATOM 935 OE2 GLU A 125 39.630 30.964 132.875 1.00 0.00 O ATOM 0 H GLU A 125 40.994 27.884 131.251 1.00 0.00 H new ATOM 0 HA GLU A 125 41.687 28.660 133.875 1.00 0.00 H new ATOM 0 HB2 GLU A 125 39.630 26.616 132.927 1.00 0.00 H new ATOM 0 HB3 GLU A 125 39.691 27.356 134.515 1.00 0.00 H new ATOM 0 HG2 GLU A 125 39.082 28.765 131.879 1.00 0.00 H new ATOM 0 HG3 GLU A 125 37.953 28.441 133.179 1.00 0.00 H new ATOM 942 N SER A 126 42.108 25.514 132.839 1.00 0.00 N ATOM 943 CA SER A 126 42.675 24.233 133.161 1.00 0.00 C ATOM 944 C SER A 126 44.021 24.107 132.533 1.00 0.00 C ATOM 945 O SER A 126 44.631 25.091 132.122 1.00 0.00 O ATOM 946 CB SER A 126 41.813 23.048 132.687 1.00 0.00 C ATOM 947 OG SER A 126 41.674 23.076 131.274 1.00 0.00 O ATOM 0 H SER A 126 41.701 25.566 131.905 1.00 0.00 H new ATOM 0 HA SER A 126 42.733 24.191 134.249 1.00 0.00 H new ATOM 0 HB2 SER A 126 42.272 22.109 132.996 1.00 0.00 H new ATOM 0 HB3 SER A 126 40.831 23.093 133.157 1.00 0.00 H new ATOM 0 HG SER A 126 41.126 22.317 130.984 1.00 0.00 H new ATOM 953 N LEU A 127 44.528 22.859 132.471 1.00 0.00 N ATOM 954 CA LEU A 127 45.810 22.610 131.883 1.00 0.00 C ATOM 955 C LEU A 127 46.806 23.495 132.619 1.00 0.00 C ATOM 956 O LEU A 127 46.706 23.587 133.873 1.00 0.00 O ATOM 957 CB LEU A 127 45.866 22.986 130.392 1.00 0.00 C ATOM 958 CG LEU A 127 44.911 22.169 129.505 1.00 0.00 C ATOM 959 CD1 LEU A 127 45.014 22.596 128.033 1.00 0.00 C ATOM 960 CD2 LEU A 127 45.132 20.659 129.693 1.00 0.00 C ATOM 961 OXT LEU A 127 47.683 24.088 131.937 1.00 0.00 O ATOM 0 H LEU A 127 44.054 22.029 132.825 1.00 0.00 H new ATOM 0 HA LEU A 127 46.028 21.545 131.963 1.00 0.00 H new ATOM 0 HB2 LEU A 127 45.628 24.044 130.285 1.00 0.00 H new ATOM 0 HB3 LEU A 127 46.886 22.850 130.032 1.00 0.00 H new ATOM 0 HG LEU A 127 43.890 22.381 129.823 1.00 0.00 H new ATOM 0 HD11 LEU A 127 44.327 22.000 127.432 1.00 0.00 H new ATOM 0 HD12 LEU A 127 44.755 23.651 127.941 1.00 0.00 H new ATOM 0 HD13 LEU A 127 46.033 22.441 127.680 1.00 0.00 H new ATOM 0 HD21 LEU A 127 44.443 20.108 129.053 1.00 0.00 H new ATOM 0 HD22 LEU A 127 46.158 20.405 129.425 1.00 0.00 H new ATOM 0 HD23 LEU A 127 44.953 20.392 130.734 1.00 0.00 H new TER 973 LEU A 127