USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 751 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 64 CYS SG : rot -76:sc= -2.84! USER MOD Set 1.2: A 65 ASN : amide:sc= -2.23! C(o=-5.1!,f=-20!) USER MOD Set 2.1: A 50 THR OG1 : rot 46:sc= -0.0307 USER MOD Set 2.2: A 57 CYS SG : rot 117:sc= -2.31 USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0685 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc=-0.00564 X(o=-0.0056,f=-0.18) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 10 ASN : amide:sc= -0.214 K(o=-0.21,f=-2!) USER MOD Single : A 11 GLN : amide:sc=-0.00527 X(o=-0.0053,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0.0178 X(o=0.018,f=0) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.835 K(o=-0.83,f=-0.31) USER MOD Single : A 19 GLN : amide:sc= -0.217 K(o=-0.22,f=-2.2!) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.659 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.0138 X(o=-0.014,f=0) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.221 K(o=-0.22,f=-2.4!) USER MOD Single : A 42 LYS NZ :NH3+ -174:sc= 0.293 (180deg=0.282) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -1.12 K(o=-1.1,f=-1.6) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc=-0.000478 K(o=-0.00048,f=-0.76) USER MOD Single : A 54 GLN : amide:sc=-0.00947 X(o=-0.0095,f=-0.14) USER MOD Single : A 62 HIS : no HD1:sc= -0.0463 X(o=-0.046,f=0) USER MOD Single : A 69 ASN : amide:sc= 0.0564 X(o=0.056,f=-0.23) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 ASN : amide:sc= -0.181 X(o=-0.18,f=-0.0054) USER MOD Single : A 82 THR OG1 : rot -69:sc= 1.1 USER MOD Single : A 83 HIS : no HD1:sc= -0.533 X(o=-0.53,f=-0.29) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.171 K(o=-0.17,f=-2.4!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.482 -3.496 -30.588 1.00 0.00 N ATOM 2 CA GLY A 1 16.231 -2.300 -30.240 1.00 0.00 C ATOM 3 C GLY A 1 16.583 -1.491 -31.490 1.00 0.00 C ATOM 4 O GLY A 1 16.574 -2.021 -32.600 1.00 0.00 O ATOM 0 H1 GLY A 1 14.499 -3.396 -30.265 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.496 -3.626 -31.620 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.915 -4.323 -30.129 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.644 -1.685 -29.558 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.144 -2.579 -29.714 1.00 0.00 H new ATOM 8 N SER A 2 16.884 -0.220 -31.268 1.00 0.00 N ATOM 9 CA SER A 2 17.238 0.668 -32.363 1.00 0.00 C ATOM 10 C SER A 2 18.009 1.876 -31.828 1.00 0.00 C ATOM 11 O SER A 2 17.914 2.204 -30.646 1.00 0.00 O ATOM 12 CB SER A 2 15.994 1.127 -33.124 1.00 0.00 C ATOM 13 OG SER A 2 15.946 0.589 -34.443 1.00 0.00 O ATOM 0 H SER A 2 16.890 0.216 -30.346 1.00 0.00 H new ATOM 0 HA SER A 2 17.873 0.118 -33.058 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.102 0.824 -32.576 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.982 2.216 -33.176 1.00 0.00 H new ATOM 0 HG SER A 2 15.136 0.904 -34.896 1.00 0.00 H new ATOM 19 N SER A 3 18.755 2.506 -32.724 1.00 0.00 N ATOM 20 CA SER A 3 19.542 3.671 -32.357 1.00 0.00 C ATOM 21 C SER A 3 20.591 3.286 -31.312 1.00 0.00 C ATOM 22 O SER A 3 20.337 2.443 -30.453 1.00 0.00 O ATOM 23 CB SER A 3 18.649 4.793 -31.823 1.00 0.00 C ATOM 24 OG SER A 3 17.850 5.374 -32.851 1.00 0.00 O ATOM 0 H SER A 3 18.831 2.231 -33.703 1.00 0.00 H new ATOM 0 HA SER A 3 20.046 4.038 -33.251 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.002 4.399 -31.039 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.269 5.564 -31.366 1.00 0.00 H new ATOM 0 HG SER A 3 17.293 6.085 -32.470 1.00 0.00 H new ATOM 30 N GLY A 4 21.748 3.923 -31.419 1.00 0.00 N ATOM 31 CA GLY A 4 22.837 3.657 -30.495 1.00 0.00 C ATOM 32 C GLY A 4 22.931 4.752 -29.430 1.00 0.00 C ATOM 33 O GLY A 4 23.347 5.872 -29.720 1.00 0.00 O ATOM 0 H GLY A 4 21.955 4.623 -32.132 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.684 2.690 -30.015 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.777 3.596 -31.043 1.00 0.00 H new ATOM 37 N SER A 5 22.537 4.389 -28.218 1.00 0.00 N ATOM 38 CA SER A 5 22.571 5.326 -27.108 1.00 0.00 C ATOM 39 C SER A 5 22.025 4.659 -25.843 1.00 0.00 C ATOM 40 O SER A 5 21.070 3.887 -25.907 1.00 0.00 O ATOM 41 CB SER A 5 21.771 6.590 -27.429 1.00 0.00 C ATOM 42 OG SER A 5 20.412 6.297 -27.742 1.00 0.00 O ATOM 0 H SER A 5 22.193 3.459 -27.980 1.00 0.00 H new ATOM 0 HA SER A 5 23.607 5.618 -26.939 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.808 7.269 -26.577 1.00 0.00 H new ATOM 0 HB3 SER A 5 22.233 7.108 -28.270 1.00 0.00 H new ATOM 0 HG SER A 5 19.935 7.130 -27.939 1.00 0.00 H new ATOM 48 N SER A 6 22.655 4.982 -24.724 1.00 0.00 N ATOM 49 CA SER A 6 22.244 4.425 -23.446 1.00 0.00 C ATOM 50 C SER A 6 21.341 5.415 -22.709 1.00 0.00 C ATOM 51 O SER A 6 20.201 5.093 -22.377 1.00 0.00 O ATOM 52 CB SER A 6 23.458 4.071 -22.584 1.00 0.00 C ATOM 53 OG SER A 6 23.774 2.683 -22.652 1.00 0.00 O ATOM 0 H SER A 6 23.447 5.622 -24.675 1.00 0.00 H new ATOM 0 HA SER A 6 21.687 3.508 -23.636 1.00 0.00 H new ATOM 0 HB2 SER A 6 24.318 4.655 -22.911 1.00 0.00 H new ATOM 0 HB3 SER A 6 23.260 4.348 -21.548 1.00 0.00 H new ATOM 0 HG SER A 6 24.555 2.497 -22.090 1.00 0.00 H new ATOM 59 N GLY A 7 21.883 6.601 -22.475 1.00 0.00 N ATOM 60 CA GLY A 7 21.140 7.641 -21.784 1.00 0.00 C ATOM 61 C GLY A 7 20.803 7.215 -20.353 1.00 0.00 C ATOM 62 O GLY A 7 21.637 7.326 -19.456 1.00 0.00 O ATOM 0 H GLY A 7 22.829 6.865 -22.752 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.726 8.560 -21.765 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.221 7.859 -22.328 1.00 0.00 H new ATOM 66 N ASN A 8 19.580 6.736 -20.185 1.00 0.00 N ATOM 67 CA ASN A 8 19.122 6.292 -18.879 1.00 0.00 C ATOM 68 C ASN A 8 19.236 7.449 -17.884 1.00 0.00 C ATOM 69 O ASN A 8 20.310 7.703 -17.342 1.00 0.00 O ATOM 70 CB ASN A 8 19.978 5.136 -18.359 1.00 0.00 C ATOM 71 CG ASN A 8 19.808 3.892 -19.233 1.00 0.00 C ATOM 72 OD1 ASN A 8 18.709 3.483 -19.568 1.00 0.00 O ATOM 73 ND2 ASN A 8 20.954 3.315 -19.582 1.00 0.00 N ATOM 0 H ASN A 8 18.891 6.645 -20.932 1.00 0.00 H new ATOM 0 HA ASN A 8 18.089 5.959 -18.979 1.00 0.00 H new ATOM 0 HB2 ASN A 8 21.027 5.433 -18.343 1.00 0.00 H new ATOM 0 HB3 ASN A 8 19.697 4.904 -17.332 1.00 0.00 H new ATOM 0 HD21 ASN A 8 20.947 2.478 -20.165 1.00 0.00 H new ATOM 0 HD22 ASN A 8 21.840 3.709 -19.267 1.00 0.00 H new ATOM 80 N GLN A 9 18.112 8.120 -17.675 1.00 0.00 N ATOM 81 CA GLN A 9 18.072 9.244 -16.755 1.00 0.00 C ATOM 82 C GLN A 9 16.647 9.457 -16.240 1.00 0.00 C ATOM 83 O GLN A 9 15.935 10.337 -16.720 1.00 0.00 O ATOM 84 CB GLN A 9 18.611 10.513 -17.416 1.00 0.00 C ATOM 85 CG GLN A 9 20.100 10.698 -17.116 1.00 0.00 C ATOM 86 CD GLN A 9 20.610 12.031 -17.667 1.00 0.00 C ATOM 87 OE1 GLN A 9 19.867 12.833 -18.208 1.00 0.00 O ATOM 88 NE2 GLN A 9 21.916 12.221 -17.501 1.00 0.00 N ATOM 0 H GLN A 9 17.223 7.907 -18.127 1.00 0.00 H new ATOM 0 HA GLN A 9 18.715 9.016 -15.905 1.00 0.00 H new ATOM 0 HB2 GLN A 9 18.458 10.459 -18.494 1.00 0.00 H new ATOM 0 HB3 GLN A 9 18.054 11.379 -17.058 1.00 0.00 H new ATOM 0 HG2 GLN A 9 20.265 10.659 -16.039 1.00 0.00 H new ATOM 0 HG3 GLN A 9 20.668 9.878 -17.556 1.00 0.00 H new ATOM 0 HE21 GLN A 9 22.480 11.508 -17.039 1.00 0.00 H new ATOM 0 HE22 GLN A 9 22.353 13.080 -17.836 1.00 0.00 H new ATOM 97 N ASN A 10 16.274 8.636 -15.269 1.00 0.00 N ATOM 98 CA ASN A 10 14.947 8.724 -14.683 1.00 0.00 C ATOM 99 C ASN A 10 14.608 10.192 -14.415 1.00 0.00 C ATOM 100 O ASN A 10 15.341 10.882 -13.709 1.00 0.00 O ATOM 101 CB ASN A 10 14.881 7.973 -13.352 1.00 0.00 C ATOM 102 CG ASN A 10 16.002 8.424 -12.413 1.00 0.00 C ATOM 103 OD1 ASN A 10 17.173 8.163 -12.632 1.00 0.00 O ATOM 104 ND2 ASN A 10 15.578 9.112 -11.357 1.00 0.00 N ATOM 0 H ASN A 10 16.867 7.907 -14.873 1.00 0.00 H new ATOM 0 HA ASN A 10 14.240 8.279 -15.383 1.00 0.00 H new ATOM 0 HB2 ASN A 10 13.914 8.147 -12.880 1.00 0.00 H new ATOM 0 HB3 ASN A 10 14.961 6.901 -13.531 1.00 0.00 H new ATOM 0 HD21 ASN A 10 16.249 9.456 -10.670 1.00 0.00 H new ATOM 0 HD22 ASN A 10 14.582 9.295 -11.234 1.00 0.00 H new ATOM 111 N GLN A 11 13.498 10.625 -14.994 1.00 0.00 N ATOM 112 CA GLN A 11 13.054 11.998 -14.826 1.00 0.00 C ATOM 113 C GLN A 11 11.526 12.059 -14.774 1.00 0.00 C ATOM 114 O GLN A 11 10.858 11.848 -15.785 1.00 0.00 O ATOM 115 CB GLN A 11 13.600 12.891 -15.942 1.00 0.00 C ATOM 116 CG GLN A 11 14.249 14.152 -15.366 1.00 0.00 C ATOM 117 CD GLN A 11 15.528 14.507 -16.129 1.00 0.00 C ATOM 118 OE1 GLN A 11 15.537 14.662 -17.339 1.00 0.00 O ATOM 119 NE2 GLN A 11 16.603 14.626 -15.355 1.00 0.00 N ATOM 0 H GLN A 11 12.893 10.049 -15.580 1.00 0.00 H new ATOM 0 HA GLN A 11 13.446 12.373 -13.880 1.00 0.00 H new ATOM 0 HB2 GLN A 11 14.331 12.337 -16.531 1.00 0.00 H new ATOM 0 HB3 GLN A 11 12.792 13.170 -16.618 1.00 0.00 H new ATOM 0 HG2 GLN A 11 13.547 14.984 -15.419 1.00 0.00 H new ATOM 0 HG3 GLN A 11 14.481 13.997 -14.312 1.00 0.00 H new ATOM 0 HE21 GLN A 11 16.525 14.483 -14.348 1.00 0.00 H new ATOM 0 HE22 GLN A 11 17.506 14.861 -15.768 1.00 0.00 H new ATOM 128 N THR A 12 11.017 12.349 -13.585 1.00 0.00 N ATOM 129 CA THR A 12 9.580 12.440 -13.388 1.00 0.00 C ATOM 130 C THR A 12 9.177 13.880 -13.063 1.00 0.00 C ATOM 131 O THR A 12 9.891 14.582 -12.349 1.00 0.00 O ATOM 132 CB THR A 12 9.188 11.439 -12.301 1.00 0.00 C ATOM 133 OG1 THR A 12 9.730 10.202 -12.755 1.00 0.00 O ATOM 134 CG2 THR A 12 7.679 11.188 -12.252 1.00 0.00 C ATOM 0 H THR A 12 11.574 12.524 -12.749 1.00 0.00 H new ATOM 0 HA THR A 12 9.038 12.182 -14.298 1.00 0.00 H new ATOM 0 HB THR A 12 9.527 11.806 -11.332 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.523 9.497 -12.107 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.455 10.470 -11.463 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.161 12.125 -12.048 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.345 10.790 -13.210 1.00 0.00 H new ATOM 142 N GLN A 13 8.034 14.277 -13.602 1.00 0.00 N ATOM 143 CA GLN A 13 7.527 15.620 -13.378 1.00 0.00 C ATOM 144 C GLN A 13 6.247 15.572 -12.541 1.00 0.00 C ATOM 145 O GLN A 13 6.058 16.390 -11.642 1.00 0.00 O ATOM 146 CB GLN A 13 7.288 16.344 -14.705 1.00 0.00 C ATOM 147 CG GLN A 13 5.962 15.910 -15.335 1.00 0.00 C ATOM 148 CD GLN A 13 5.768 16.560 -16.706 1.00 0.00 C ATOM 149 OE1 GLN A 13 6.258 16.090 -17.719 1.00 0.00 O ATOM 150 NE2 GLN A 13 5.028 17.665 -16.681 1.00 0.00 N ATOM 0 H GLN A 13 7.444 13.692 -14.194 1.00 0.00 H new ATOM 0 HA GLN A 13 8.278 16.183 -12.825 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.281 17.421 -14.540 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.108 16.132 -15.392 1.00 0.00 H new ATOM 0 HG2 GLN A 13 5.942 14.825 -15.437 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.136 16.184 -14.678 1.00 0.00 H new ATOM 0 HE21 GLN A 13 4.648 18.004 -15.797 1.00 0.00 H new ATOM 0 HE22 GLN A 13 4.841 18.173 -17.545 1.00 0.00 H new ATOM 159 N HIS A 14 5.402 14.604 -12.865 1.00 0.00 N ATOM 160 CA HIS A 14 4.146 14.438 -12.154 1.00 0.00 C ATOM 161 C HIS A 14 3.608 13.025 -12.385 1.00 0.00 C ATOM 162 O HIS A 14 3.457 12.593 -13.527 1.00 0.00 O ATOM 163 CB HIS A 14 3.147 15.525 -12.556 1.00 0.00 C ATOM 164 CG HIS A 14 2.157 15.880 -11.473 1.00 0.00 C ATOM 165 ND1 HIS A 14 2.297 16.995 -10.665 1.00 0.00 N ATOM 166 CD2 HIS A 14 1.011 15.257 -11.073 1.00 0.00 C ATOM 167 CE1 HIS A 14 1.277 17.031 -9.820 1.00 0.00 C ATOM 168 NE2 HIS A 14 0.481 15.953 -10.074 1.00 0.00 N ATOM 0 H HIS A 14 5.563 13.927 -13.611 1.00 0.00 H new ATOM 0 HA HIS A 14 4.312 14.556 -11.083 1.00 0.00 H new ATOM 0 HB2 HIS A 14 3.697 16.422 -12.840 1.00 0.00 H new ATOM 0 HB3 HIS A 14 2.601 15.193 -13.439 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.604 14.351 -11.497 1.00 0.00 H new ATOM 0 HE1 HIS A 14 1.106 17.782 -9.063 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -0.379 15.720 -9.578 1.00 0.00 H new ATOM 176 N LYS A 15 3.335 12.343 -11.282 1.00 0.00 N ATOM 177 CA LYS A 15 2.817 10.987 -11.349 1.00 0.00 C ATOM 178 C LYS A 15 1.610 10.953 -12.288 1.00 0.00 C ATOM 179 O LYS A 15 0.681 11.745 -12.140 1.00 0.00 O ATOM 180 CB LYS A 15 2.520 10.457 -9.945 1.00 0.00 C ATOM 181 CG LYS A 15 3.547 9.402 -9.529 1.00 0.00 C ATOM 182 CD LYS A 15 3.960 9.586 -8.067 1.00 0.00 C ATOM 183 CE LYS A 15 2.928 8.967 -7.124 1.00 0.00 C ATOM 184 NZ LYS A 15 3.557 8.597 -5.836 1.00 0.00 N ATOM 0 H LYS A 15 3.463 12.704 -10.337 1.00 0.00 H new ATOM 0 HA LYS A 15 3.565 10.313 -11.767 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.530 11.281 -9.232 1.00 0.00 H new ATOM 0 HB3 LYS A 15 1.519 10.026 -9.919 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.128 8.406 -9.670 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.426 9.472 -10.170 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.933 9.125 -7.900 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.068 10.648 -7.847 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.117 9.674 -6.949 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.487 8.084 -7.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.842 8.178 -5.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.316 7.906 -6.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.956 9.446 -5.388 1.00 0.00 H new ATOM 198 N GLN A 16 1.662 10.026 -13.234 1.00 0.00 N ATOM 199 CA GLN A 16 0.583 9.878 -14.196 1.00 0.00 C ATOM 200 C GLN A 16 -0.177 8.574 -13.946 1.00 0.00 C ATOM 201 O GLN A 16 0.201 7.522 -14.460 1.00 0.00 O ATOM 202 CB GLN A 16 1.116 9.935 -15.629 1.00 0.00 C ATOM 203 CG GLN A 16 -0.030 10.042 -16.637 1.00 0.00 C ATOM 204 CD GLN A 16 -0.723 11.402 -16.537 1.00 0.00 C ATOM 205 OE1 GLN A 16 -0.350 12.367 -17.185 1.00 0.00 O ATOM 206 NE2 GLN A 16 -1.750 11.426 -15.692 1.00 0.00 N ATOM 0 H GLN A 16 2.434 9.370 -13.355 1.00 0.00 H new ATOM 0 HA GLN A 16 -0.110 10.710 -14.066 1.00 0.00 H new ATOM 0 HB2 GLN A 16 1.783 10.790 -15.739 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.706 9.042 -15.837 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.355 9.899 -17.647 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -0.753 9.247 -16.456 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.010 10.582 -15.181 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.278 12.288 -15.555 1.00 0.00 H new ATOM 215 N ARG A 17 -1.234 8.685 -13.155 1.00 0.00 N ATOM 216 CA ARG A 17 -2.050 7.528 -12.830 1.00 0.00 C ATOM 217 C ARG A 17 -3.240 7.944 -11.962 1.00 0.00 C ATOM 218 O ARG A 17 -3.142 8.888 -11.180 1.00 0.00 O ATOM 219 CB ARG A 17 -1.233 6.468 -12.088 1.00 0.00 C ATOM 220 CG ARG A 17 -1.225 5.145 -12.856 1.00 0.00 C ATOM 221 CD ARG A 17 0.143 4.887 -13.490 1.00 0.00 C ATOM 222 NE ARG A 17 0.012 4.811 -14.962 1.00 0.00 N ATOM 223 CZ ARG A 17 0.959 4.325 -15.776 1.00 0.00 C ATOM 224 NH1 ARG A 17 2.111 3.868 -15.267 1.00 0.00 N ATOM 225 NH2 ARG A 17 0.753 4.295 -17.100 1.00 0.00 N ATOM 0 H ARG A 17 -1.544 9.559 -12.730 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.410 7.103 -13.767 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -0.210 6.820 -11.953 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.650 6.313 -11.093 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.477 4.327 -12.181 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.991 5.166 -13.631 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.835 5.684 -13.219 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.562 3.957 -13.105 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.853 5.150 -15.383 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.268 3.890 -14.259 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.831 3.498 -15.887 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.124 4.642 -17.488 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.474 3.925 -17.720 1.00 0.00 H new ATOM 239 N PRO A 18 -4.365 7.200 -12.135 1.00 0.00 N ATOM 240 CA PRO A 18 -5.572 7.482 -11.377 1.00 0.00 C ATOM 241 C PRO A 18 -5.436 7.004 -9.930 1.00 0.00 C ATOM 242 O PRO A 18 -4.810 5.978 -9.669 1.00 0.00 O ATOM 243 CB PRO A 18 -6.686 6.777 -12.134 1.00 0.00 C ATOM 244 CG PRO A 18 -6.002 5.747 -13.018 1.00 0.00 C ATOM 245 CD PRO A 18 -4.518 6.075 -13.053 1.00 0.00 C ATOM 0 HA PRO A 18 -5.778 8.549 -11.296 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.384 6.300 -11.446 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.261 7.485 -12.732 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.162 4.742 -12.627 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.422 5.768 -14.024 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.917 5.222 -12.738 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.194 6.339 -14.060 1.00 0.00 H new ATOM 253 N GLN A 19 -6.033 7.770 -9.029 1.00 0.00 N ATOM 254 CA GLN A 19 -5.986 7.437 -7.615 1.00 0.00 C ATOM 255 C GLN A 19 -6.749 8.481 -6.798 1.00 0.00 C ATOM 256 O GLN A 19 -7.216 9.480 -7.343 1.00 0.00 O ATOM 257 CB GLN A 19 -4.541 7.309 -7.130 1.00 0.00 C ATOM 258 CG GLN A 19 -4.427 6.270 -6.013 1.00 0.00 C ATOM 259 CD GLN A 19 -3.065 5.573 -6.048 1.00 0.00 C ATOM 260 OE1 GLN A 19 -2.226 5.838 -6.893 1.00 0.00 O ATOM 261 NE2 GLN A 19 -2.894 4.671 -5.086 1.00 0.00 N ATOM 0 H GLN A 19 -6.552 8.620 -9.250 1.00 0.00 H new ATOM 0 HA GLN A 19 -6.469 6.470 -7.473 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.898 7.025 -7.963 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.188 8.275 -6.770 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.567 6.754 -5.046 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -5.221 5.530 -6.117 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.638 4.498 -4.410 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.018 4.152 -5.024 1.00 0.00 H new ATOM 270 N ALA A 20 -6.852 8.214 -5.504 1.00 0.00 N ATOM 271 CA ALA A 20 -7.551 9.118 -4.607 1.00 0.00 C ATOM 272 C ALA A 20 -8.998 9.279 -5.076 1.00 0.00 C ATOM 273 O ALA A 20 -9.525 8.418 -5.779 1.00 0.00 O ATOM 274 CB ALA A 20 -6.806 10.453 -4.546 1.00 0.00 C ATOM 0 H ALA A 20 -6.463 7.384 -5.056 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.576 8.711 -3.596 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.330 11.132 -3.873 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.793 10.288 -4.179 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.763 10.892 -5.543 1.00 0.00 H new ATOM 280 N THR A 21 -9.599 10.387 -4.669 1.00 0.00 N ATOM 281 CA THR A 21 -10.975 10.671 -5.038 1.00 0.00 C ATOM 282 C THR A 21 -11.811 9.390 -5.008 1.00 0.00 C ATOM 283 O THR A 21 -11.640 8.554 -4.123 1.00 0.00 O ATOM 284 CB THR A 21 -10.965 11.358 -6.406 1.00 0.00 C ATOM 285 OG1 THR A 21 -10.703 10.300 -7.324 1.00 0.00 O ATOM 286 CG2 THR A 21 -9.774 12.303 -6.577 1.00 0.00 C ATOM 0 H THR A 21 -9.158 11.099 -4.087 1.00 0.00 H new ATOM 0 HA THR A 21 -11.445 11.345 -4.322 1.00 0.00 H new ATOM 0 HB THR A 21 -11.893 11.915 -6.540 1.00 0.00 H new ATOM 0 HG1 THR A 21 -10.681 10.657 -8.237 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.814 12.764 -7.564 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.812 13.079 -5.812 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.846 11.740 -6.477 1.00 0.00 H new ATOM 294 N ALA A 22 -12.698 9.277 -5.986 1.00 0.00 N ATOM 295 CA ALA A 22 -13.561 8.112 -6.083 1.00 0.00 C ATOM 296 C ALA A 22 -12.701 6.847 -6.116 1.00 0.00 C ATOM 297 O ALA A 22 -13.130 5.788 -5.659 1.00 0.00 O ATOM 298 CB ALA A 22 -14.456 8.240 -7.317 1.00 0.00 C ATOM 0 H ALA A 22 -12.838 9.973 -6.718 1.00 0.00 H new ATOM 0 HA ALA A 22 -14.214 8.045 -5.213 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -15.103 7.366 -7.389 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -15.068 9.138 -7.231 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.836 8.307 -8.211 1.00 0.00 H new ATOM 304 N GLU A 23 -11.502 6.998 -6.660 1.00 0.00 N ATOM 305 CA GLU A 23 -10.578 5.881 -6.759 1.00 0.00 C ATOM 306 C GLU A 23 -10.351 5.258 -5.380 1.00 0.00 C ATOM 307 O GLU A 23 -10.398 4.037 -5.231 1.00 0.00 O ATOM 308 CB GLU A 23 -9.254 6.318 -7.388 1.00 0.00 C ATOM 309 CG GLU A 23 -8.895 5.431 -8.582 1.00 0.00 C ATOM 310 CD GLU A 23 -9.958 5.530 -9.678 1.00 0.00 C ATOM 311 OE1 GLU A 23 -10.214 6.671 -10.119 1.00 0.00 O ATOM 312 OE2 GLU A 23 -10.490 4.462 -10.050 1.00 0.00 O ATOM 0 H GLU A 23 -11.149 7.878 -7.037 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.019 5.126 -7.410 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.326 7.357 -7.711 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.460 6.270 -6.643 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.926 5.729 -8.982 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.800 4.396 -8.255 1.00 0.00 H new ATOM 319 N GLN A 24 -10.109 6.124 -4.407 1.00 0.00 N ATOM 320 CA GLN A 24 -9.874 5.673 -3.046 1.00 0.00 C ATOM 321 C GLN A 24 -11.005 4.748 -2.590 1.00 0.00 C ATOM 322 O GLN A 24 -10.752 3.678 -2.038 1.00 0.00 O ATOM 323 CB GLN A 24 -9.720 6.861 -2.094 1.00 0.00 C ATOM 324 CG GLN A 24 -9.485 6.387 -0.658 1.00 0.00 C ATOM 325 CD GLN A 24 -10.257 7.253 0.339 1.00 0.00 C ATOM 326 OE1 GLN A 24 -9.711 8.124 0.997 1.00 0.00 O ATOM 327 NE2 GLN A 24 -11.554 6.967 0.413 1.00 0.00 N ATOM 0 H GLN A 24 -10.071 7.135 -4.534 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.941 5.110 -3.027 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.885 7.484 -2.416 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -10.615 7.482 -2.134 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.796 5.347 -0.559 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.420 6.424 -0.429 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.946 6.225 -0.166 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -12.156 7.490 1.049 1.00 0.00 H new ATOM 336 N ILE A 25 -12.227 5.195 -2.837 1.00 0.00 N ATOM 337 CA ILE A 25 -13.398 4.421 -2.459 1.00 0.00 C ATOM 338 C ILE A 25 -13.248 2.991 -2.981 1.00 0.00 C ATOM 339 O ILE A 25 -13.495 2.031 -2.252 1.00 0.00 O ATOM 340 CB ILE A 25 -14.676 5.118 -2.930 1.00 0.00 C ATOM 341 CG1 ILE A 25 -14.823 6.493 -2.277 1.00 0.00 C ATOM 342 CG2 ILE A 25 -15.902 4.234 -2.691 1.00 0.00 C ATOM 343 CD1 ILE A 25 -15.532 7.473 -3.215 1.00 0.00 C ATOM 0 H ILE A 25 -12.432 6.083 -3.294 1.00 0.00 H new ATOM 0 HA ILE A 25 -13.480 4.358 -1.374 1.00 0.00 H new ATOM 0 HB ILE A 25 -14.601 5.280 -4.005 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -15.387 6.400 -1.349 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -13.839 6.882 -2.015 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -16.797 4.753 -3.034 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -15.790 3.300 -3.242 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -15.993 4.019 -1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -15.624 8.443 -2.726 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -14.953 7.582 -4.132 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -16.525 7.093 -3.456 1.00 0.00 H new ATOM 355 N ARG A 26 -12.845 2.893 -4.239 1.00 0.00 N ATOM 356 CA ARG A 26 -12.659 1.596 -4.867 1.00 0.00 C ATOM 357 C ARG A 26 -11.411 0.910 -4.310 1.00 0.00 C ATOM 358 O ARG A 26 -11.381 -0.311 -4.166 1.00 0.00 O ATOM 359 CB ARG A 26 -12.523 1.734 -6.385 1.00 0.00 C ATOM 360 CG ARG A 26 -13.892 1.685 -7.065 1.00 0.00 C ATOM 361 CD ARG A 26 -14.083 0.368 -7.820 1.00 0.00 C ATOM 362 NE ARG A 26 -14.808 0.612 -9.088 1.00 0.00 N ATOM 363 CZ ARG A 26 -14.218 0.994 -10.229 1.00 0.00 C ATOM 364 NH1 ARG A 26 -12.891 1.178 -10.268 1.00 0.00 N ATOM 365 NH2 ARG A 26 -14.954 1.191 -11.330 1.00 0.00 N ATOM 0 H ARG A 26 -12.642 3.691 -4.841 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.538 0.991 -4.646 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.027 2.675 -6.625 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.892 0.933 -6.771 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.677 1.797 -6.318 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -13.989 2.522 -7.757 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.114 -0.086 -8.027 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -14.640 -0.337 -7.203 1.00 0.00 H new ATOM 0 HE ARG A 26 -15.820 0.481 -9.093 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.330 1.027 -9.429 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.442 1.469 -11.136 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -15.964 1.050 -11.300 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -14.505 1.482 -12.198 1.00 0.00 H new ATOM 379 N LEU A 27 -10.410 1.725 -4.011 1.00 0.00 N ATOM 380 CA LEU A 27 -9.162 1.212 -3.472 1.00 0.00 C ATOM 381 C LEU A 27 -9.425 0.573 -2.107 1.00 0.00 C ATOM 382 O LEU A 27 -9.178 -0.616 -1.916 1.00 0.00 O ATOM 383 CB LEU A 27 -8.099 2.312 -3.442 1.00 0.00 C ATOM 384 CG LEU A 27 -7.568 2.768 -4.802 1.00 0.00 C ATOM 385 CD1 LEU A 27 -6.215 3.468 -4.656 1.00 0.00 C ATOM 386 CD2 LEU A 27 -7.504 1.599 -5.787 1.00 0.00 C ATOM 0 H LEU A 27 -10.438 2.737 -4.132 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.761 0.431 -4.118 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.515 3.178 -2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.258 1.961 -2.845 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.266 3.497 -5.213 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.860 3.782 -5.638 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.325 4.341 -4.013 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.495 2.780 -4.213 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.123 1.951 -6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.841 0.828 -5.394 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.502 1.183 -5.924 1.00 0.00 H new ATOM 398 N ALA A 28 -9.923 1.392 -1.192 1.00 0.00 N ATOM 399 CA ALA A 28 -10.223 0.922 0.150 1.00 0.00 C ATOM 400 C ALA A 28 -11.212 -0.242 0.069 1.00 0.00 C ATOM 401 O ALA A 28 -11.351 -1.010 1.019 1.00 0.00 O ATOM 402 CB ALA A 28 -10.757 2.084 0.990 1.00 0.00 C ATOM 0 H ALA A 28 -10.126 2.378 -1.354 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.321 0.554 0.639 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.982 1.732 1.997 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.005 2.872 1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.664 2.477 0.532 1.00 0.00 H new ATOM 408 N GLN A 29 -11.874 -0.336 -1.075 1.00 0.00 N ATOM 409 CA GLN A 29 -12.847 -1.393 -1.292 1.00 0.00 C ATOM 410 C GLN A 29 -12.148 -2.665 -1.779 1.00 0.00 C ATOM 411 O GLN A 29 -12.588 -3.773 -1.477 1.00 0.00 O ATOM 412 CB GLN A 29 -13.928 -0.949 -2.279 1.00 0.00 C ATOM 413 CG GLN A 29 -14.694 -2.153 -2.832 1.00 0.00 C ATOM 414 CD GLN A 29 -16.192 -1.856 -2.924 1.00 0.00 C ATOM 415 OE1 GLN A 29 -16.622 -0.886 -3.526 1.00 0.00 O ATOM 416 NE2 GLN A 29 -16.959 -2.742 -2.295 1.00 0.00 N ATOM 0 H GLN A 29 -11.756 0.303 -1.861 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.336 -1.611 -0.343 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.621 -0.269 -1.783 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.471 -0.396 -3.100 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.310 -2.411 -3.819 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.530 -3.019 -2.190 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.533 -3.532 -1.810 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -17.973 -2.632 -2.298 1.00 0.00 H new ATOM 425 N MET A 30 -11.072 -2.462 -2.525 1.00 0.00 N ATOM 426 CA MET A 30 -10.309 -3.578 -3.057 1.00 0.00 C ATOM 427 C MET A 30 -9.286 -4.078 -2.036 1.00 0.00 C ATOM 428 O MET A 30 -9.075 -5.283 -1.902 1.00 0.00 O ATOM 429 CB MET A 30 -9.586 -3.141 -4.333 1.00 0.00 C ATOM 430 CG MET A 30 -10.585 -2.805 -5.442 1.00 0.00 C ATOM 431 SD MET A 30 -10.215 -3.758 -6.905 1.00 0.00 S ATOM 432 CE MET A 30 -9.497 -2.485 -7.930 1.00 0.00 C ATOM 0 H MET A 30 -10.711 -1.541 -2.774 1.00 0.00 H new ATOM 0 HA MET A 30 -10.999 -4.392 -3.281 1.00 0.00 H new ATOM 0 HB2 MET A 30 -8.964 -2.271 -4.123 1.00 0.00 H new ATOM 0 HB3 MET A 30 -8.919 -3.936 -4.668 1.00 0.00 H new ATOM 0 HG2 MET A 30 -11.600 -3.018 -5.106 1.00 0.00 H new ATOM 0 HG3 MET A 30 -10.542 -1.740 -5.671 1.00 0.00 H new ATOM 0 HE1 MET A 30 -9.207 -2.912 -8.890 1.00 0.00 H new ATOM 0 HE2 MET A 30 -10.228 -1.692 -8.091 1.00 0.00 H new ATOM 0 HE3 MET A 30 -8.617 -2.073 -7.436 1.00 0.00 H new ATOM 442 N ILE A 31 -8.677 -3.128 -1.342 1.00 0.00 N ATOM 443 CA ILE A 31 -7.681 -3.457 -0.337 1.00 0.00 C ATOM 444 C ILE A 31 -8.330 -4.302 0.762 1.00 0.00 C ATOM 445 O ILE A 31 -7.852 -5.390 1.077 1.00 0.00 O ATOM 446 CB ILE A 31 -7.004 -2.188 0.183 1.00 0.00 C ATOM 447 CG1 ILE A 31 -5.999 -1.646 -0.835 1.00 0.00 C ATOM 448 CG2 ILE A 31 -6.361 -2.429 1.550 1.00 0.00 C ATOM 449 CD1 ILE A 31 -6.284 -0.178 -1.159 1.00 0.00 C ATOM 0 H ILE A 31 -8.854 -2.130 -1.456 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.885 -4.059 -0.774 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.770 -1.424 0.318 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.988 -1.745 -0.441 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.045 -2.239 -1.748 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.887 -1.511 1.896 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.127 -2.733 2.264 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.611 -3.215 1.466 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.555 0.183 -1.885 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.287 -0.085 -1.575 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.213 0.416 -0.248 1.00 0.00 H new ATOM 461 N SER A 32 -9.410 -3.768 1.314 1.00 0.00 N ATOM 462 CA SER A 32 -10.130 -4.459 2.370 1.00 0.00 C ATOM 463 C SER A 32 -10.391 -5.910 1.963 1.00 0.00 C ATOM 464 O SER A 32 -10.126 -6.832 2.733 1.00 0.00 O ATOM 465 CB SER A 32 -11.448 -3.752 2.691 1.00 0.00 C ATOM 466 OG SER A 32 -11.981 -4.161 3.948 1.00 0.00 O ATOM 0 H SER A 32 -9.804 -2.865 1.050 1.00 0.00 H new ATOM 0 HA SER A 32 -9.514 -4.446 3.269 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.289 -2.674 2.698 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.173 -3.962 1.904 1.00 0.00 H new ATOM 0 HG SER A 32 -12.821 -3.686 4.117 1.00 0.00 H new ATOM 472 N ASP A 33 -10.907 -6.068 0.753 1.00 0.00 N ATOM 473 CA ASP A 33 -11.207 -7.392 0.234 1.00 0.00 C ATOM 474 C ASP A 33 -10.009 -8.313 0.476 1.00 0.00 C ATOM 475 O ASP A 33 -10.180 -9.503 0.735 1.00 0.00 O ATOM 476 CB ASP A 33 -11.472 -7.346 -1.272 1.00 0.00 C ATOM 477 CG ASP A 33 -12.200 -8.566 -1.838 1.00 0.00 C ATOM 478 OD1 ASP A 33 -12.616 -9.411 -1.015 1.00 0.00 O ATOM 479 OD2 ASP A 33 -12.325 -8.627 -3.080 1.00 0.00 O ATOM 0 H ASP A 33 -11.125 -5.301 0.117 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.096 -7.762 0.745 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -12.059 -6.455 -1.495 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.519 -7.238 -1.790 1.00 0.00 H new ATOM 484 N HIS A 34 -8.825 -7.727 0.382 1.00 0.00 N ATOM 485 CA HIS A 34 -7.599 -8.480 0.587 1.00 0.00 C ATOM 486 C HIS A 34 -6.846 -7.916 1.794 1.00 0.00 C ATOM 487 O HIS A 34 -5.882 -7.169 1.634 1.00 0.00 O ATOM 488 CB HIS A 34 -6.752 -8.496 -0.686 1.00 0.00 C ATOM 489 CG HIS A 34 -7.331 -9.336 -1.799 1.00 0.00 C ATOM 490 ND1 HIS A 34 -7.309 -10.720 -1.783 1.00 0.00 N ATOM 491 CD2 HIS A 34 -7.949 -8.974 -2.960 1.00 0.00 C ATOM 492 CE1 HIS A 34 -7.890 -11.160 -2.890 1.00 0.00 C ATOM 493 NE2 HIS A 34 -8.285 -10.077 -3.618 1.00 0.00 N ATOM 0 H HIS A 34 -8.688 -6.739 0.167 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.839 -9.520 0.806 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.631 -7.473 -1.042 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -5.757 -8.869 -0.443 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.134 -7.962 -3.288 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.027 -12.195 -3.167 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -8.760 -10.109 -4.520 1.00 0.00 H new ATOM 501 N ASN A 35 -7.315 -8.295 2.974 1.00 0.00 N ATOM 502 CA ASN A 35 -6.698 -7.836 4.206 1.00 0.00 C ATOM 503 C ASN A 35 -6.312 -9.046 5.060 1.00 0.00 C ATOM 504 O ASN A 35 -6.616 -10.184 4.703 1.00 0.00 O ATOM 505 CB ASN A 35 -7.665 -6.974 5.019 1.00 0.00 C ATOM 506 CG ASN A 35 -7.370 -5.485 4.824 1.00 0.00 C ATOM 507 OD1 ASN A 35 -6.537 -5.091 4.024 1.00 0.00 O ATOM 508 ND2 ASN A 35 -8.097 -4.684 5.597 1.00 0.00 N ATOM 0 H ASN A 35 -8.115 -8.915 3.102 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.821 -7.244 3.943 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.690 -7.188 4.717 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.584 -7.229 6.076 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.975 -3.673 5.542 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.777 -5.081 6.245 1.00 0.00 H new ATOM 515 N ASP A 36 -5.648 -8.760 6.170 1.00 0.00 N ATOM 516 CA ASP A 36 -5.218 -9.811 7.077 1.00 0.00 C ATOM 517 C ASP A 36 -5.084 -9.236 8.488 1.00 0.00 C ATOM 518 O ASP A 36 -4.779 -8.056 8.656 1.00 0.00 O ATOM 519 CB ASP A 36 -3.856 -10.372 6.663 1.00 0.00 C ATOM 520 CG ASP A 36 -3.747 -11.897 6.700 1.00 0.00 C ATOM 521 OD1 ASP A 36 -4.736 -12.527 7.135 1.00 0.00 O ATOM 522 OD2 ASP A 36 -2.678 -12.400 6.293 1.00 0.00 O ATOM 0 H ASP A 36 -5.397 -7.815 6.462 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.960 -10.608 7.047 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.631 -10.031 5.652 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.093 -9.952 7.318 1.00 0.00 H new ATOM 527 N ALA A 37 -5.317 -10.098 9.468 1.00 0.00 N ATOM 528 CA ALA A 37 -5.225 -9.691 10.860 1.00 0.00 C ATOM 529 C ALA A 37 -3.908 -8.945 11.083 1.00 0.00 C ATOM 530 O ALA A 37 -3.874 -7.936 11.785 1.00 0.00 O ATOM 531 CB ALA A 37 -5.359 -10.920 11.761 1.00 0.00 C ATOM 0 H ALA A 37 -5.569 -11.076 9.325 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.037 -9.010 11.115 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.290 -10.615 12.805 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.323 -11.397 11.585 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.559 -11.625 11.536 1.00 0.00 H new ATOM 537 N ASP A 38 -2.856 -9.471 10.473 1.00 0.00 N ATOM 538 CA ASP A 38 -1.540 -8.868 10.597 1.00 0.00 C ATOM 539 C ASP A 38 -1.631 -7.381 10.246 1.00 0.00 C ATOM 540 O ASP A 38 -1.421 -6.524 11.102 1.00 0.00 O ATOM 541 CB ASP A 38 -0.543 -9.520 9.637 1.00 0.00 C ATOM 542 CG ASP A 38 -0.398 -11.035 9.788 1.00 0.00 C ATOM 543 OD1 ASP A 38 -0.664 -11.523 10.908 1.00 0.00 O ATOM 544 OD2 ASP A 38 -0.023 -11.673 8.779 1.00 0.00 O ATOM 0 H ASP A 38 -2.888 -10.308 9.891 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.199 -9.010 11.622 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.849 -9.299 8.614 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.434 -9.060 9.784 1.00 0.00 H new ATOM 549 N PHE A 39 -1.944 -7.121 8.985 1.00 0.00 N ATOM 550 CA PHE A 39 -2.065 -5.753 8.510 1.00 0.00 C ATOM 551 C PHE A 39 -3.101 -4.979 9.328 1.00 0.00 C ATOM 552 O PHE A 39 -2.875 -3.825 9.690 1.00 0.00 O ATOM 553 CB PHE A 39 -2.531 -5.824 7.055 1.00 0.00 C ATOM 554 CG PHE A 39 -2.750 -4.457 6.404 1.00 0.00 C ATOM 555 CD1 PHE A 39 -3.941 -3.817 6.552 1.00 0.00 C ATOM 556 CD2 PHE A 39 -1.755 -3.881 5.678 1.00 0.00 C ATOM 557 CE1 PHE A 39 -4.145 -2.548 5.948 1.00 0.00 C ATOM 558 CE2 PHE A 39 -1.959 -2.612 5.075 1.00 0.00 C ATOM 559 CZ PHE A 39 -3.150 -1.973 5.222 1.00 0.00 C ATOM 0 H PHE A 39 -2.118 -7.835 8.277 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.108 -5.240 8.606 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.793 -6.377 6.474 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.462 -6.390 7.010 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.732 -4.274 7.129 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.809 -4.389 5.560 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.091 -2.040 6.065 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.168 -2.154 4.499 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.306 -1.008 4.762 1.00 0.00 H new ATOM 569 N GLU A 40 -4.215 -5.645 9.595 1.00 0.00 N ATOM 570 CA GLU A 40 -5.286 -5.033 10.363 1.00 0.00 C ATOM 571 C GLU A 40 -4.736 -4.438 11.660 1.00 0.00 C ATOM 572 O GLU A 40 -4.869 -3.240 11.903 1.00 0.00 O ATOM 573 CB GLU A 40 -6.399 -6.043 10.651 1.00 0.00 C ATOM 574 CG GLU A 40 -7.438 -6.049 9.528 1.00 0.00 C ATOM 575 CD GLU A 40 -8.114 -4.682 9.399 1.00 0.00 C ATOM 576 OE1 GLU A 40 -8.994 -4.402 10.241 1.00 0.00 O ATOM 577 OE2 GLU A 40 -7.735 -3.948 8.461 1.00 0.00 O ATOM 0 H GLU A 40 -4.399 -6.602 9.293 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.717 -4.226 9.771 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.971 -7.040 10.761 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.882 -5.797 11.597 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.958 -6.312 8.585 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.190 -6.813 9.727 1.00 0.00 H new ATOM 584 N GLU A 41 -4.130 -5.303 12.461 1.00 0.00 N ATOM 585 CA GLU A 41 -3.560 -4.878 13.727 1.00 0.00 C ATOM 586 C GLU A 41 -2.631 -3.680 13.516 1.00 0.00 C ATOM 587 O GLU A 41 -2.608 -2.758 14.329 1.00 0.00 O ATOM 588 CB GLU A 41 -2.821 -6.031 14.411 1.00 0.00 C ATOM 589 CG GLU A 41 -3.461 -6.369 15.759 1.00 0.00 C ATOM 590 CD GLU A 41 -3.552 -5.128 16.649 1.00 0.00 C ATOM 591 OE1 GLU A 41 -2.475 -4.619 17.026 1.00 0.00 O ATOM 592 OE2 GLU A 41 -4.698 -4.717 16.933 1.00 0.00 O ATOM 0 H GLU A 41 -4.022 -6.296 12.257 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.374 -4.571 14.384 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.836 -6.910 13.767 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.775 -5.761 14.558 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.458 -6.780 15.599 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.875 -7.139 16.261 1.00 0.00 H new ATOM 599 N LYS A 42 -1.889 -3.734 12.420 1.00 0.00 N ATOM 600 CA LYS A 42 -0.961 -2.665 12.091 1.00 0.00 C ATOM 601 C LYS A 42 -1.746 -1.383 11.808 1.00 0.00 C ATOM 602 O LYS A 42 -1.423 -0.322 12.341 1.00 0.00 O ATOM 603 CB LYS A 42 -0.041 -3.088 10.945 1.00 0.00 C ATOM 604 CG LYS A 42 0.964 -4.145 11.409 1.00 0.00 C ATOM 605 CD LYS A 42 2.259 -4.065 10.598 1.00 0.00 C ATOM 606 CE LYS A 42 3.288 -5.075 11.107 1.00 0.00 C ATOM 607 NZ LYS A 42 4.662 -4.591 10.848 1.00 0.00 N ATOM 0 H LYS A 42 -1.911 -4.501 11.748 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.304 -2.457 12.936 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.637 -3.484 10.123 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.492 -2.218 10.562 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.184 -4.003 12.467 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.527 -5.138 11.305 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.046 -4.256 9.546 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.671 -3.058 10.662 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.149 -5.237 12.176 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.136 -6.036 10.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.345 -5.331 11.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.765 -4.362 9.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.843 -3.739 11.417 1.00 0.00 H new ATOM 621 N VAL A 43 -2.763 -1.522 10.971 1.00 0.00 N ATOM 622 CA VAL A 43 -3.597 -0.388 10.611 1.00 0.00 C ATOM 623 C VAL A 43 -3.996 0.369 11.879 1.00 0.00 C ATOM 624 O VAL A 43 -3.814 1.583 11.964 1.00 0.00 O ATOM 625 CB VAL A 43 -4.802 -0.863 9.795 1.00 0.00 C ATOM 626 CG1 VAL A 43 -5.721 0.309 9.443 1.00 0.00 C ATOM 627 CG2 VAL A 43 -4.352 -1.605 8.535 1.00 0.00 C ATOM 0 H VAL A 43 -3.029 -2.403 10.531 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.045 0.306 9.978 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.370 -1.561 10.410 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.569 -0.055 8.863 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.082 0.777 10.359 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.168 1.042 8.855 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.227 -1.932 7.973 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.751 -0.939 7.916 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.757 -2.473 8.817 1.00 0.00 H new ATOM 637 N LYS A 44 -4.531 -0.378 12.833 1.00 0.00 N ATOM 638 CA LYS A 44 -4.956 0.208 14.093 1.00 0.00 C ATOM 639 C LYS A 44 -3.770 0.921 14.745 1.00 0.00 C ATOM 640 O LYS A 44 -3.866 2.094 15.101 1.00 0.00 O ATOM 641 CB LYS A 44 -5.603 -0.853 14.986 1.00 0.00 C ATOM 642 CG LYS A 44 -7.094 -0.999 14.671 1.00 0.00 C ATOM 643 CD LYS A 44 -7.757 -2.004 15.615 1.00 0.00 C ATOM 644 CE LYS A 44 -9.172 -2.347 15.145 1.00 0.00 C ATOM 645 NZ LYS A 44 -10.148 -2.130 16.236 1.00 0.00 N ATOM 0 H LYS A 44 -4.680 -1.384 12.759 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.726 0.961 13.923 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.102 -1.810 14.842 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.474 -0.580 16.033 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.585 -0.030 14.762 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.221 -1.325 13.639 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.156 -2.912 15.665 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.795 -1.591 16.623 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.435 -1.730 14.286 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.210 -3.385 14.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.103 -2.368 15.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.905 -2.737 17.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.123 -1.133 16.531 1.00 0.00 H new ATOM 659 N GLN A 45 -2.679 0.181 14.882 1.00 0.00 N ATOM 660 CA GLN A 45 -1.476 0.728 15.485 1.00 0.00 C ATOM 661 C GLN A 45 -1.150 2.094 14.877 1.00 0.00 C ATOM 662 O GLN A 45 -0.750 3.014 15.589 1.00 0.00 O ATOM 663 CB GLN A 45 -0.298 -0.236 15.330 1.00 0.00 C ATOM 664 CG GLN A 45 0.043 -0.906 16.662 1.00 0.00 C ATOM 665 CD GLN A 45 0.978 -0.026 17.495 1.00 0.00 C ATOM 666 OE1 GLN A 45 0.588 0.990 18.046 1.00 0.00 O ATOM 667 NE2 GLN A 45 2.229 -0.472 17.555 1.00 0.00 N ATOM 0 H GLN A 45 -2.603 -0.792 14.586 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.657 0.861 16.552 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.542 -0.997 14.588 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.572 0.305 14.958 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.873 -1.100 17.220 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.515 -1.871 16.477 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.488 -1.331 17.070 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.930 0.045 18.087 1.00 0.00 H new ATOM 676 N LEU A 46 -1.334 2.182 13.568 1.00 0.00 N ATOM 677 CA LEU A 46 -1.065 3.420 12.857 1.00 0.00 C ATOM 678 C LEU A 46 -2.003 4.513 13.372 1.00 0.00 C ATOM 679 O LEU A 46 -1.549 5.531 13.893 1.00 0.00 O ATOM 680 CB LEU A 46 -1.151 3.199 11.345 1.00 0.00 C ATOM 681 CG LEU A 46 0.106 2.635 10.678 1.00 0.00 C ATOM 682 CD1 LEU A 46 -0.206 2.114 9.273 1.00 0.00 C ATOM 683 CD2 LEU A 46 1.233 3.669 10.669 1.00 0.00 C ATOM 0 H LEU A 46 -1.666 1.416 12.981 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.046 3.756 13.050 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.981 2.522 11.143 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.394 4.150 10.872 1.00 0.00 H new ATOM 0 HG LEU A 46 0.454 1.786 11.267 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.704 1.719 8.821 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.953 1.323 9.336 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.591 2.929 8.660 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.114 3.243 10.190 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.912 4.553 10.118 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.477 3.950 11.693 1.00 0.00 H new ATOM 695 N ILE A 47 -3.294 4.267 13.208 1.00 0.00 N ATOM 696 CA ILE A 47 -4.300 5.217 13.650 1.00 0.00 C ATOM 697 C ILE A 47 -3.986 5.658 15.081 1.00 0.00 C ATOM 698 O ILE A 47 -4.348 6.760 15.489 1.00 0.00 O ATOM 699 CB ILE A 47 -5.703 4.631 13.481 1.00 0.00 C ATOM 700 CG1 ILE A 47 -6.125 4.631 12.011 1.00 0.00 C ATOM 701 CG2 ILE A 47 -6.714 5.362 14.368 1.00 0.00 C ATOM 702 CD1 ILE A 47 -7.027 3.436 11.698 1.00 0.00 C ATOM 0 H ILE A 47 -3.667 3.422 12.775 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.277 6.112 13.028 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.680 3.592 13.809 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.650 5.558 11.780 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.240 4.599 11.375 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.703 4.926 14.228 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.419 5.265 15.413 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.741 6.417 14.095 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.312 3.461 10.646 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.490 2.511 11.907 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.922 3.484 12.318 1.00 0.00 H new ATOM 714 N ASP A 48 -3.315 4.773 15.804 1.00 0.00 N ATOM 715 CA ASP A 48 -2.948 5.056 17.181 1.00 0.00 C ATOM 716 C ASP A 48 -1.623 5.822 17.204 1.00 0.00 C ATOM 717 O ASP A 48 -1.418 6.690 18.051 1.00 0.00 O ATOM 718 CB ASP A 48 -2.761 3.764 17.979 1.00 0.00 C ATOM 719 CG ASP A 48 -3.643 3.638 19.222 1.00 0.00 C ATOM 720 OD1 ASP A 48 -4.869 3.832 19.070 1.00 0.00 O ATOM 721 OD2 ASP A 48 -3.073 3.351 20.296 1.00 0.00 O ATOM 0 H ASP A 48 -3.016 3.860 15.462 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.749 5.643 17.629 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.961 2.917 17.323 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.717 3.691 18.284 1.00 0.00 H new ATOM 726 N ILE A 49 -0.758 5.472 16.263 1.00 0.00 N ATOM 727 CA ILE A 49 0.541 6.115 16.165 1.00 0.00 C ATOM 728 C ILE A 49 0.394 7.440 15.414 1.00 0.00 C ATOM 729 O ILE A 49 0.487 8.510 16.012 1.00 0.00 O ATOM 730 CB ILE A 49 1.564 5.164 15.539 1.00 0.00 C ATOM 731 CG1 ILE A 49 1.708 3.889 16.373 1.00 0.00 C ATOM 732 CG2 ILE A 49 2.907 5.865 15.328 1.00 0.00 C ATOM 733 CD1 ILE A 49 1.954 2.673 15.477 1.00 0.00 C ATOM 0 H ILE A 49 -0.932 4.752 15.562 1.00 0.00 H new ATOM 0 HA ILE A 49 0.925 6.351 17.157 1.00 0.00 H new ATOM 0 HB ILE A 49 1.198 4.867 14.556 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.534 4.001 17.075 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.806 3.733 16.964 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.616 5.167 14.882 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.772 6.719 14.664 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.292 6.210 16.288 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.053 1.780 16.094 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.115 2.550 14.792 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.870 2.822 14.905 1.00 0.00 H new ATOM 745 N THR A 50 0.167 7.324 14.114 1.00 0.00 N ATOM 746 CA THR A 50 0.006 8.500 13.275 1.00 0.00 C ATOM 747 C THR A 50 -1.134 9.376 13.797 1.00 0.00 C ATOM 748 O THR A 50 -0.898 10.341 14.522 1.00 0.00 O ATOM 749 CB THR A 50 -0.202 8.027 11.834 1.00 0.00 C ATOM 750 OG1 THR A 50 -0.732 6.712 11.973 1.00 0.00 O ATOM 751 CG2 THR A 50 1.118 7.821 11.089 1.00 0.00 C ATOM 0 H THR A 50 0.091 6.434 13.621 1.00 0.00 H new ATOM 0 HA THR A 50 0.895 9.130 13.301 1.00 0.00 H new ATOM 0 HB THR A 50 -0.811 8.755 11.298 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.436 6.713 12.655 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.913 7.486 10.072 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.668 8.761 11.057 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.714 7.069 11.606 1.00 0.00 H new ATOM 759 N GLY A 51 -2.347 9.008 13.409 1.00 0.00 N ATOM 760 CA GLY A 51 -3.524 9.749 13.829 1.00 0.00 C ATOM 761 C GLY A 51 -4.460 10.008 12.647 1.00 0.00 C ATOM 762 O GLY A 51 -5.585 10.470 12.831 1.00 0.00 O ATOM 0 H GLY A 51 -2.540 8.206 12.808 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.053 9.190 14.601 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.222 10.698 14.273 1.00 0.00 H new ATOM 766 N LYS A 52 -3.960 9.700 11.459 1.00 0.00 N ATOM 767 CA LYS A 52 -4.737 9.894 10.247 1.00 0.00 C ATOM 768 C LYS A 52 -5.940 8.949 10.261 1.00 0.00 C ATOM 769 O LYS A 52 -6.144 8.211 11.224 1.00 0.00 O ATOM 770 CB LYS A 52 -3.849 9.740 9.011 1.00 0.00 C ATOM 771 CG LYS A 52 -2.616 10.641 9.106 1.00 0.00 C ATOM 772 CD LYS A 52 -2.846 11.963 8.370 1.00 0.00 C ATOM 773 CE LYS A 52 -1.516 12.640 8.031 1.00 0.00 C ATOM 774 NZ LYS A 52 -1.450 12.959 6.587 1.00 0.00 N ATOM 0 H LYS A 52 -3.026 9.317 11.310 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.129 10.910 10.205 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.537 8.700 8.910 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.419 9.990 8.116 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.385 10.839 10.153 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.753 10.129 8.680 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.409 11.781 7.455 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.449 12.628 8.988 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.406 13.553 8.617 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.688 11.985 8.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.541 13.418 6.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.533 12.082 6.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.229 13.601 6.337 1.00 0.00 H new ATOM 788 N ASN A 53 -6.707 9.003 9.181 1.00 0.00 N ATOM 789 CA ASN A 53 -7.884 8.161 9.057 1.00 0.00 C ATOM 790 C ASN A 53 -7.456 6.747 8.659 1.00 0.00 C ATOM 791 O ASN A 53 -6.383 6.558 8.087 1.00 0.00 O ATOM 792 CB ASN A 53 -8.829 8.691 7.977 1.00 0.00 C ATOM 793 CG ASN A 53 -9.466 10.014 8.407 1.00 0.00 C ATOM 794 OD1 ASN A 53 -9.757 10.244 9.569 1.00 0.00 O ATOM 795 ND2 ASN A 53 -9.665 10.868 7.407 1.00 0.00 N ATOM 0 H ASN A 53 -6.536 9.617 8.385 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.399 8.159 10.018 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.280 8.833 7.046 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.609 7.956 7.778 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.085 11.779 7.591 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.398 10.612 6.457 1.00 0.00 H new ATOM 802 N GLN A 54 -8.317 5.791 8.976 1.00 0.00 N ATOM 803 CA GLN A 54 -8.041 4.400 8.658 1.00 0.00 C ATOM 804 C GLN A 54 -7.760 4.243 7.162 1.00 0.00 C ATOM 805 O GLN A 54 -6.663 3.847 6.770 1.00 0.00 O ATOM 806 CB GLN A 54 -9.195 3.498 9.097 1.00 0.00 C ATOM 807 CG GLN A 54 -8.740 2.041 9.211 1.00 0.00 C ATOM 808 CD GLN A 54 -9.720 1.226 10.057 1.00 0.00 C ATOM 809 OE1 GLN A 54 -10.082 1.594 11.162 1.00 0.00 O ATOM 810 NE2 GLN A 54 -10.128 0.100 9.478 1.00 0.00 N ATOM 0 H GLN A 54 -9.206 5.952 9.450 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.153 4.091 9.209 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.582 3.838 10.058 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.012 3.572 8.380 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.660 1.602 8.216 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.747 2.000 9.658 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.786 -0.149 8.550 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.783 -0.514 9.962 1.00 0.00 H new ATOM 819 N ASP A 55 -8.770 4.563 6.366 1.00 0.00 N ATOM 820 CA ASP A 55 -8.646 4.463 4.922 1.00 0.00 C ATOM 821 C ASP A 55 -7.259 4.951 4.498 1.00 0.00 C ATOM 822 O ASP A 55 -6.614 4.337 3.650 1.00 0.00 O ATOM 823 CB ASP A 55 -9.689 5.333 4.218 1.00 0.00 C ATOM 824 CG ASP A 55 -11.142 4.911 4.443 1.00 0.00 C ATOM 825 OD1 ASP A 55 -11.337 3.914 5.172 1.00 0.00 O ATOM 826 OD2 ASP A 55 -12.025 5.594 3.881 1.00 0.00 O ATOM 0 H ASP A 55 -9.678 4.892 6.694 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.798 3.421 4.642 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.569 6.362 4.556 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.485 5.323 3.147 1.00 0.00 H new ATOM 831 N GLU A 56 -6.841 6.050 5.110 1.00 0.00 N ATOM 832 CA GLU A 56 -5.543 6.627 4.806 1.00 0.00 C ATOM 833 C GLU A 56 -4.426 5.738 5.355 1.00 0.00 C ATOM 834 O GLU A 56 -3.469 5.429 4.647 1.00 0.00 O ATOM 835 CB GLU A 56 -5.433 8.049 5.359 1.00 0.00 C ATOM 836 CG GLU A 56 -6.528 8.948 4.782 1.00 0.00 C ATOM 837 CD GLU A 56 -5.977 9.835 3.663 1.00 0.00 C ATOM 838 OE1 GLU A 56 -5.444 9.257 2.691 1.00 0.00 O ATOM 839 OE2 GLU A 56 -6.101 11.070 3.806 1.00 0.00 O ATOM 0 H GLU A 56 -7.378 6.555 5.814 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.437 6.684 3.723 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.511 8.027 6.446 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.454 8.462 5.118 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.342 8.334 4.397 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.946 9.571 5.573 1.00 0.00 H new ATOM 846 N CYS A 57 -4.584 5.351 6.612 1.00 0.00 N ATOM 847 CA CYS A 57 -3.600 4.503 7.264 1.00 0.00 C ATOM 848 C CYS A 57 -3.444 3.225 6.438 1.00 0.00 C ATOM 849 O CYS A 57 -2.327 2.772 6.194 1.00 0.00 O ATOM 850 CB CYS A 57 -3.985 4.201 8.714 1.00 0.00 C ATOM 851 SG CYS A 57 -3.389 5.539 9.811 1.00 0.00 S ATOM 0 H CYS A 57 -5.379 5.609 7.197 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.643 5.023 7.312 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.067 4.105 8.799 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.555 3.248 9.022 1.00 0.00 H new ATOM 0 HG CYS A 57 -4.405 6.127 10.370 1.00 0.00 H new ATOM 857 N VAL A 58 -4.581 2.680 6.029 1.00 0.00 N ATOM 858 CA VAL A 58 -4.584 1.463 5.235 1.00 0.00 C ATOM 859 C VAL A 58 -3.804 1.702 3.941 1.00 0.00 C ATOM 860 O VAL A 58 -2.959 0.891 3.563 1.00 0.00 O ATOM 861 CB VAL A 58 -6.023 1.003 4.989 1.00 0.00 C ATOM 862 CG1 VAL A 58 -6.056 -0.239 4.096 1.00 0.00 C ATOM 863 CG2 VAL A 58 -6.750 0.748 6.311 1.00 0.00 C ATOM 0 H VAL A 58 -5.506 3.059 6.233 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.085 0.656 5.771 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.547 1.804 4.468 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.090 -0.545 3.937 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.594 -0.009 3.136 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.508 -1.048 4.578 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.770 0.422 6.108 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.226 -0.027 6.871 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.772 1.667 6.897 1.00 0.00 H new ATOM 873 N ILE A 59 -4.113 2.818 3.298 1.00 0.00 N ATOM 874 CA ILE A 59 -3.451 3.173 2.054 1.00 0.00 C ATOM 875 C ILE A 59 -1.946 3.300 2.301 1.00 0.00 C ATOM 876 O ILE A 59 -1.142 2.756 1.546 1.00 0.00 O ATOM 877 CB ILE A 59 -4.083 4.429 1.450 1.00 0.00 C ATOM 878 CG1 ILE A 59 -5.553 4.188 1.101 1.00 0.00 C ATOM 879 CG2 ILE A 59 -3.281 4.921 0.244 1.00 0.00 C ATOM 880 CD1 ILE A 59 -6.367 5.477 1.236 1.00 0.00 C ATOM 0 H ILE A 59 -4.813 3.489 3.615 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.588 2.387 1.312 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.055 5.220 2.199 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.631 3.809 0.082 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.966 3.422 1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.752 5.814 -0.166 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.264 5.157 0.556 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.255 4.142 -0.518 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.408 5.278 0.982 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.306 5.840 2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.967 6.233 0.560 1.00 0.00 H new ATOM 892 N ALA A 60 -1.611 4.022 3.360 1.00 0.00 N ATOM 893 CA ALA A 60 -0.218 4.227 3.716 1.00 0.00 C ATOM 894 C ALA A 60 0.456 2.869 3.927 1.00 0.00 C ATOM 895 O ALA A 60 1.327 2.477 3.152 1.00 0.00 O ATOM 896 CB ALA A 60 -0.133 5.119 4.956 1.00 0.00 C ATOM 0 H ALA A 60 -2.281 4.472 3.983 1.00 0.00 H new ATOM 0 HA ALA A 60 0.312 4.737 2.911 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.913 5.273 5.223 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.599 6.082 4.744 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.652 4.639 5.786 1.00 0.00 H new ATOM 902 N LEU A 61 0.026 2.189 4.980 1.00 0.00 N ATOM 903 CA LEU A 61 0.577 0.884 5.303 1.00 0.00 C ATOM 904 C LEU A 61 0.728 0.067 4.018 1.00 0.00 C ATOM 905 O LEU A 61 1.828 -0.372 3.683 1.00 0.00 O ATOM 906 CB LEU A 61 -0.272 0.194 6.373 1.00 0.00 C ATOM 907 CG LEU A 61 0.388 -0.979 7.100 1.00 0.00 C ATOM 908 CD1 LEU A 61 1.788 -0.603 7.590 1.00 0.00 C ATOM 909 CD2 LEU A 61 -0.499 -1.489 8.237 1.00 0.00 C ATOM 0 H LEU A 61 -0.697 2.517 5.620 1.00 0.00 H new ATOM 0 HA LEU A 61 1.572 0.987 5.735 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.562 0.939 7.115 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.189 -0.164 5.906 1.00 0.00 H new ATOM 0 HG LEU A 61 0.504 -1.798 6.390 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.235 -1.455 8.103 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.409 -0.326 6.738 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.719 0.240 8.278 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.006 -2.323 8.737 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.670 -0.686 8.954 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.454 -1.823 7.832 1.00 0.00 H new ATOM 921 N HIS A 62 -0.391 -0.112 3.333 1.00 0.00 N ATOM 922 CA HIS A 62 -0.396 -0.869 2.092 1.00 0.00 C ATOM 923 C HIS A 62 0.657 -0.299 1.140 1.00 0.00 C ATOM 924 O HIS A 62 1.415 -1.049 0.527 1.00 0.00 O ATOM 925 CB HIS A 62 -1.798 -0.896 1.479 1.00 0.00 C ATOM 926 CG HIS A 62 -1.888 -1.676 0.188 1.00 0.00 C ATOM 927 ND1 HIS A 62 -2.340 -2.983 0.133 1.00 0.00 N ATOM 928 CD2 HIS A 62 -1.580 -1.320 -1.092 1.00 0.00 C ATOM 929 CE1 HIS A 62 -2.302 -3.385 -1.129 1.00 0.00 C ATOM 930 NE2 HIS A 62 -1.830 -2.353 -1.886 1.00 0.00 N ATOM 0 H HIS A 62 -1.301 0.254 3.613 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.130 -1.907 2.293 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.491 -1.327 2.201 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.124 0.128 1.297 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.197 -0.360 -1.406 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.594 -4.359 -1.494 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -1.692 -2.372 -2.896 1.00 0.00 H new ATOM 938 N ASP A 63 0.670 1.023 1.045 1.00 0.00 N ATOM 939 CA ASP A 63 1.618 1.701 0.178 1.00 0.00 C ATOM 940 C ASP A 63 2.988 1.033 0.304 1.00 0.00 C ATOM 941 O ASP A 63 3.603 0.675 -0.699 1.00 0.00 O ATOM 942 CB ASP A 63 1.771 3.171 0.573 1.00 0.00 C ATOM 943 CG ASP A 63 1.910 4.145 -0.599 1.00 0.00 C ATOM 944 OD1 ASP A 63 2.285 3.667 -1.692 1.00 0.00 O ATOM 945 OD2 ASP A 63 1.640 5.345 -0.376 1.00 0.00 O ATOM 0 H ASP A 63 0.039 1.642 1.554 1.00 0.00 H new ATOM 0 HA ASP A 63 1.244 1.638 -0.844 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.906 3.464 1.168 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.647 3.270 1.214 1.00 0.00 H new ATOM 950 N CYS A 64 3.426 0.884 1.546 1.00 0.00 N ATOM 951 CA CYS A 64 4.712 0.264 1.817 1.00 0.00 C ATOM 952 C CYS A 64 4.598 -1.231 1.514 1.00 0.00 C ATOM 953 O CYS A 64 5.187 -1.720 0.551 1.00 0.00 O ATOM 954 CB CYS A 64 5.173 0.523 3.252 1.00 0.00 C ATOM 955 SG CYS A 64 6.951 0.121 3.421 1.00 0.00 S ATOM 0 H CYS A 64 2.913 1.182 2.376 1.00 0.00 H new ATOM 0 HA CYS A 64 5.474 0.706 1.175 1.00 0.00 H new ATOM 0 HB2 CYS A 64 5.001 1.567 3.515 1.00 0.00 H new ATOM 0 HB3 CYS A 64 4.588 -0.081 3.945 1.00 0.00 H new ATOM 0 HG CYS A 64 7.101 -1.169 3.471 1.00 0.00 H new ATOM 961 N ASN A 65 3.837 -1.916 2.354 1.00 0.00 N ATOM 962 CA ASN A 65 3.638 -3.346 2.189 1.00 0.00 C ATOM 963 C ASN A 65 3.003 -3.918 3.457 1.00 0.00 C ATOM 964 O ASN A 65 2.237 -4.879 3.393 1.00 0.00 O ATOM 965 CB ASN A 65 4.970 -4.064 1.961 1.00 0.00 C ATOM 966 CG ASN A 65 6.022 -3.602 2.972 1.00 0.00 C ATOM 967 OD1 ASN A 65 5.971 -2.504 3.502 1.00 0.00 O ATOM 968 ND2 ASN A 65 6.975 -4.498 3.208 1.00 0.00 N ATOM 0 H ASN A 65 3.350 -1.507 3.152 1.00 0.00 H new ATOM 0 HA ASN A 65 2.993 -3.499 1.324 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.826 -5.141 2.047 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.323 -3.870 0.948 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.724 -4.285 3.867 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.958 -5.399 2.730 1.00 0.00 H new ATOM 975 N GLY A 66 3.344 -3.304 4.581 1.00 0.00 N ATOM 976 CA GLY A 66 2.816 -3.741 5.862 1.00 0.00 C ATOM 977 C GLY A 66 3.791 -3.416 6.996 1.00 0.00 C ATOM 978 O GLY A 66 4.032 -4.248 7.869 1.00 0.00 O ATOM 0 H GLY A 66 3.979 -2.508 4.631 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.859 -3.255 6.050 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.628 -4.814 5.835 1.00 0.00 H new ATOM 982 N ASP A 67 4.325 -2.205 6.945 1.00 0.00 N ATOM 983 CA ASP A 67 5.268 -1.759 7.957 1.00 0.00 C ATOM 984 C ASP A 67 4.733 -0.490 8.622 1.00 0.00 C ATOM 985 O ASP A 67 4.711 0.575 8.007 1.00 0.00 O ATOM 986 CB ASP A 67 6.627 -1.432 7.337 1.00 0.00 C ATOM 987 CG ASP A 67 7.786 -2.306 7.820 1.00 0.00 C ATOM 988 OD1 ASP A 67 8.037 -2.290 9.045 1.00 0.00 O ATOM 989 OD2 ASP A 67 8.395 -2.971 6.954 1.00 0.00 O ATOM 0 H ASP A 67 4.123 -1.518 6.218 1.00 0.00 H new ATOM 0 HA ASP A 67 5.388 -2.562 8.684 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.547 -1.527 6.254 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.865 -0.390 7.549 1.00 0.00 H new ATOM 994 N VAL A 68 4.317 -0.644 9.871 1.00 0.00 N ATOM 995 CA VAL A 68 3.784 0.477 10.626 1.00 0.00 C ATOM 996 C VAL A 68 4.812 1.610 10.642 1.00 0.00 C ATOM 997 O VAL A 68 4.449 2.783 10.571 1.00 0.00 O ATOM 998 CB VAL A 68 3.380 0.018 12.029 1.00 0.00 C ATOM 999 CG1 VAL A 68 3.396 1.188 13.014 1.00 0.00 C ATOM 1000 CG2 VAL A 68 2.010 -0.664 12.008 1.00 0.00 C ATOM 0 H VAL A 68 4.338 -1.528 10.379 1.00 0.00 H new ATOM 0 HA VAL A 68 2.882 0.862 10.151 1.00 0.00 H new ATOM 0 HB VAL A 68 4.113 -0.714 12.367 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.105 0.835 14.003 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.400 1.611 13.060 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.695 1.953 12.681 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.746 -0.981 13.017 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.260 0.036 11.640 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.047 -1.534 11.352 1.00 0.00 H new ATOM 1010 N ASN A 69 6.075 1.220 10.734 1.00 0.00 N ATOM 1011 CA ASN A 69 7.158 2.188 10.759 1.00 0.00 C ATOM 1012 C ASN A 69 7.257 2.871 9.394 1.00 0.00 C ATOM 1013 O ASN A 69 7.046 4.078 9.283 1.00 0.00 O ATOM 1014 CB ASN A 69 8.498 1.509 11.047 1.00 0.00 C ATOM 1015 CG ASN A 69 8.330 0.372 12.057 1.00 0.00 C ATOM 1016 OD1 ASN A 69 8.255 0.579 13.257 1.00 0.00 O ATOM 1017 ND2 ASN A 69 8.276 -0.838 11.507 1.00 0.00 N ATOM 0 H ASN A 69 6.372 0.246 10.792 1.00 0.00 H new ATOM 0 HA ASN A 69 6.945 2.912 11.546 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.918 1.118 10.120 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.206 2.242 11.434 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.166 -1.662 12.098 1.00 0.00 H new ATOM 0 HD22 ASN A 69 8.345 -0.942 10.495 1.00 0.00 H new ATOM 1024 N ARG A 70 7.579 2.070 8.389 1.00 0.00 N ATOM 1025 CA ARG A 70 7.710 2.582 7.036 1.00 0.00 C ATOM 1026 C ARG A 70 6.481 3.414 6.663 1.00 0.00 C ATOM 1027 O ARG A 70 6.611 4.506 6.111 1.00 0.00 O ATOM 1028 CB ARG A 70 7.870 1.442 6.028 1.00 0.00 C ATOM 1029 CG ARG A 70 9.046 0.538 6.406 1.00 0.00 C ATOM 1030 CD ARG A 70 10.232 0.761 5.466 1.00 0.00 C ATOM 1031 NE ARG A 70 11.371 -0.090 5.878 1.00 0.00 N ATOM 1032 CZ ARG A 70 12.108 0.120 6.977 1.00 0.00 C ATOM 1033 NH1 ARG A 70 11.831 1.156 7.781 1.00 0.00 N ATOM 1034 NH2 ARG A 70 13.122 -0.704 7.271 1.00 0.00 N ATOM 0 H ARG A 70 7.753 1.070 8.485 1.00 0.00 H new ATOM 0 HA ARG A 70 8.602 3.208 7.003 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.953 0.855 5.989 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.028 1.853 5.031 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.349 0.739 7.434 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.735 -0.506 6.364 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.944 0.526 4.441 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.527 1.810 5.482 1.00 0.00 H new ATOM 0 HE ARG A 70 11.610 -0.887 5.288 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.059 1.784 7.556 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.392 1.316 8.618 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.333 -1.492 6.658 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.683 -0.544 8.108 1.00 0.00 H new ATOM 1048 N ALA A 71 5.317 2.866 6.978 1.00 0.00 N ATOM 1049 CA ALA A 71 4.066 3.544 6.683 1.00 0.00 C ATOM 1050 C ALA A 71 4.095 4.947 7.293 1.00 0.00 C ATOM 1051 O ALA A 71 3.766 5.926 6.624 1.00 0.00 O ATOM 1052 CB ALA A 71 2.896 2.707 7.202 1.00 0.00 C ATOM 0 H ALA A 71 5.214 1.960 7.435 1.00 0.00 H new ATOM 0 HA ALA A 71 3.935 3.655 5.607 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.958 3.216 6.980 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.903 1.731 6.716 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.992 2.576 8.280 1.00 0.00 H new ATOM 1058 N ILE A 72 4.492 5.000 8.556 1.00 0.00 N ATOM 1059 CA ILE A 72 4.568 6.267 9.264 1.00 0.00 C ATOM 1060 C ILE A 72 5.419 7.248 8.455 1.00 0.00 C ATOM 1061 O ILE A 72 5.049 8.410 8.294 1.00 0.00 O ATOM 1062 CB ILE A 72 5.069 6.052 10.694 1.00 0.00 C ATOM 1063 CG1 ILE A 72 3.977 5.435 11.570 1.00 0.00 C ATOM 1064 CG2 ILE A 72 5.611 7.355 11.286 1.00 0.00 C ATOM 1065 CD1 ILE A 72 4.586 4.584 12.686 1.00 0.00 C ATOM 0 H ILE A 72 4.764 4.186 9.107 1.00 0.00 H new ATOM 0 HA ILE A 72 3.577 6.710 9.361 1.00 0.00 H new ATOM 0 HB ILE A 72 5.896 5.343 10.664 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.364 6.225 12.003 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.318 4.820 10.957 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.961 7.175 12.303 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.439 7.715 10.676 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.820 8.104 11.302 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.789 4.157 13.294 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.179 3.781 12.249 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.225 5.207 13.311 1.00 0.00 H new ATOM 1077 N ASN A 73 6.543 6.744 7.967 1.00 0.00 N ATOM 1078 CA ASN A 73 7.449 7.561 7.179 1.00 0.00 C ATOM 1079 C ASN A 73 6.706 8.106 5.957 1.00 0.00 C ATOM 1080 O ASN A 73 7.102 9.122 5.387 1.00 0.00 O ATOM 1081 CB ASN A 73 8.640 6.740 6.681 1.00 0.00 C ATOM 1082 CG ASN A 73 9.900 7.053 7.490 1.00 0.00 C ATOM 1083 OD1 ASN A 73 10.617 8.004 7.228 1.00 0.00 O ATOM 1084 ND2 ASN A 73 10.127 6.202 8.487 1.00 0.00 N ATOM 0 H ASN A 73 6.847 5.780 8.102 1.00 0.00 H new ATOM 0 HA ASN A 73 7.810 8.371 7.813 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.410 5.677 6.756 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.818 6.954 5.627 1.00 0.00 H new ATOM 0 HD21 ASN A 73 10.942 6.325 9.087 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.486 5.426 8.651 1.00 0.00 H new ATOM 1091 N VAL A 74 5.642 7.407 5.591 1.00 0.00 N ATOM 1092 CA VAL A 74 4.840 7.808 4.448 1.00 0.00 C ATOM 1093 C VAL A 74 3.736 8.758 4.913 1.00 0.00 C ATOM 1094 O VAL A 74 3.565 9.840 4.352 1.00 0.00 O ATOM 1095 CB VAL A 74 4.300 6.570 3.728 1.00 0.00 C ATOM 1096 CG1 VAL A 74 3.431 6.967 2.533 1.00 0.00 C ATOM 1097 CG2 VAL A 74 5.440 5.647 3.294 1.00 0.00 C ATOM 0 H VAL A 74 5.317 6.565 6.066 1.00 0.00 H new ATOM 0 HA VAL A 74 5.450 8.349 3.724 1.00 0.00 H new ATOM 0 HB VAL A 74 3.673 6.020 4.431 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.060 6.069 2.039 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.588 7.566 2.879 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.025 7.550 1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.029 4.775 2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.104 6.183 2.616 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.001 5.324 4.171 1.00 0.00 H new ATOM 1107 N LEU A 75 3.014 8.321 5.934 1.00 0.00 N ATOM 1108 CA LEU A 75 1.930 9.119 6.482 1.00 0.00 C ATOM 1109 C LEU A 75 2.448 10.523 6.803 1.00 0.00 C ATOM 1110 O LEU A 75 1.731 11.507 6.632 1.00 0.00 O ATOM 1111 CB LEU A 75 1.293 8.410 7.678 1.00 0.00 C ATOM 1112 CG LEU A 75 0.461 7.167 7.356 1.00 0.00 C ATOM 1113 CD1 LEU A 75 0.590 6.119 8.464 1.00 0.00 C ATOM 1114 CD2 LEU A 75 -0.998 7.539 7.086 1.00 0.00 C ATOM 0 H LEU A 75 3.158 7.424 6.397 1.00 0.00 H new ATOM 0 HA LEU A 75 1.132 9.233 5.748 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.085 8.123 8.369 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.656 9.123 8.201 1.00 0.00 H new ATOM 0 HG LEU A 75 0.854 6.720 6.443 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.011 5.246 8.211 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.634 5.824 8.566 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.239 6.540 9.406 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.567 6.638 6.860 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.419 8.023 7.967 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.048 8.222 6.238 1.00 0.00 H new ATOM 1126 N LEU A 76 3.690 10.569 7.263 1.00 0.00 N ATOM 1127 CA LEU A 76 4.313 11.835 7.609 1.00 0.00 C ATOM 1128 C LEU A 76 4.816 12.517 6.335 1.00 0.00 C ATOM 1129 O LEU A 76 4.646 13.723 6.164 1.00 0.00 O ATOM 1130 CB LEU A 76 5.400 11.627 8.666 1.00 0.00 C ATOM 1131 CG LEU A 76 4.953 10.950 9.963 1.00 0.00 C ATOM 1132 CD1 LEU A 76 6.159 10.553 10.818 1.00 0.00 C ATOM 1133 CD2 LEU A 76 3.970 11.834 10.733 1.00 0.00 C ATOM 0 H LEU A 76 4.281 9.750 7.404 1.00 0.00 H new ATOM 0 HA LEU A 76 3.584 12.506 8.063 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.199 11.031 8.225 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.828 12.598 8.915 1.00 0.00 H new ATOM 0 HG LEU A 76 4.425 10.032 9.705 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.814 10.074 11.734 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.788 9.859 10.260 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.736 11.443 11.069 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.668 11.329 11.651 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.449 12.781 10.981 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.091 12.023 10.117 1.00 0.00 H new ATOM 1145 N GLU A 77 5.426 11.715 5.475 1.00 0.00 N ATOM 1146 CA GLU A 77 5.955 12.226 4.222 1.00 0.00 C ATOM 1147 C GLU A 77 6.044 11.103 3.186 1.00 0.00 C ATOM 1148 O GLU A 77 7.087 10.467 3.043 1.00 0.00 O ATOM 1149 CB GLU A 77 7.319 12.888 4.432 1.00 0.00 C ATOM 1150 CG GLU A 77 7.165 14.270 5.068 1.00 0.00 C ATOM 1151 CD GLU A 77 8.231 15.236 4.546 1.00 0.00 C ATOM 1152 OE1 GLU A 77 8.131 15.602 3.356 1.00 0.00 O ATOM 1153 OE2 GLU A 77 9.122 15.586 5.350 1.00 0.00 O ATOM 0 H GLU A 77 5.566 10.715 5.621 1.00 0.00 H new ATOM 0 HA GLU A 77 5.272 12.988 3.846 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.939 12.257 5.069 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.834 12.979 3.476 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.173 14.666 4.851 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.244 14.186 6.152 1.00 0.00 H new ATOM 1160 N GLY A 78 4.936 10.894 2.490 1.00 0.00 N ATOM 1161 CA GLY A 78 4.876 9.860 1.472 1.00 0.00 C ATOM 1162 C GLY A 78 6.106 9.912 0.564 1.00 0.00 C ATOM 1163 O GLY A 78 6.627 10.989 0.280 1.00 0.00 O ATOM 0 H GLY A 78 4.073 11.424 2.611 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.811 8.881 1.947 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.973 9.985 0.874 1.00 0.00 H new ATOM 1167 N ASN A 79 6.534 8.734 0.133 1.00 0.00 N ATOM 1168 CA ASN A 79 7.693 8.632 -0.737 1.00 0.00 C ATOM 1169 C ASN A 79 7.455 9.467 -1.997 1.00 0.00 C ATOM 1170 O ASN A 79 6.319 9.609 -2.446 1.00 0.00 O ATOM 1171 CB ASN A 79 7.933 7.184 -1.168 1.00 0.00 C ATOM 1172 CG ASN A 79 8.637 6.392 -0.063 1.00 0.00 C ATOM 1173 OD1 ASN A 79 8.017 5.728 0.751 1.00 0.00 O ATOM 1174 ND2 ASN A 79 9.962 6.501 -0.081 1.00 0.00 N ATOM 0 H ASN A 79 6.099 7.843 0.370 1.00 0.00 H new ATOM 0 HA ASN A 79 8.561 8.992 -0.185 1.00 0.00 H new ATOM 0 HB2 ASN A 79 6.982 6.710 -1.410 1.00 0.00 H new ATOM 0 HB3 ASN A 79 8.538 7.166 -2.075 1.00 0.00 H new ATOM 0 HD21 ASN A 79 10.524 6.011 0.616 1.00 0.00 H new ATOM 0 HD22 ASN A 79 10.417 7.074 -0.791 1.00 0.00 H new ATOM 1181 N PRO A 80 8.574 10.010 -2.547 1.00 0.00 N ATOM 1182 CA PRO A 80 8.497 10.827 -3.746 1.00 0.00 C ATOM 1183 C PRO A 80 8.268 9.960 -4.986 1.00 0.00 C ATOM 1184 O PRO A 80 7.274 10.129 -5.690 1.00 0.00 O ATOM 1185 CB PRO A 80 9.813 11.588 -3.788 1.00 0.00 C ATOM 1186 CG PRO A 80 10.762 10.829 -2.875 1.00 0.00 C ATOM 1187 CD PRO A 80 9.936 9.863 -2.043 1.00 0.00 C ATOM 0 HA PRO A 80 7.653 11.517 -3.732 1.00 0.00 H new ATOM 0 HB2 PRO A 80 10.204 11.637 -4.804 1.00 0.00 H new ATOM 0 HB3 PRO A 80 9.681 12.615 -3.448 1.00 0.00 H new ATOM 0 HG2 PRO A 80 11.505 10.289 -3.461 1.00 0.00 H new ATOM 0 HG3 PRO A 80 11.305 11.520 -2.230 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.292 8.839 -2.156 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.994 10.105 -0.982 1.00 0.00 H new ATOM 1195 N ASP A 81 9.204 9.051 -5.214 1.00 0.00 N ATOM 1196 CA ASP A 81 9.117 8.157 -6.357 1.00 0.00 C ATOM 1197 C ASP A 81 9.268 6.711 -5.880 1.00 0.00 C ATOM 1198 O ASP A 81 8.487 5.842 -6.265 1.00 0.00 O ATOM 1199 CB ASP A 81 10.231 8.442 -7.366 1.00 0.00 C ATOM 1200 CG ASP A 81 9.787 8.466 -8.830 1.00 0.00 C ATOM 1201 OD1 ASP A 81 8.580 8.238 -9.061 1.00 0.00 O ATOM 1202 OD2 ASP A 81 10.665 8.711 -9.685 1.00 0.00 O ATOM 0 H ASP A 81 10.027 8.914 -4.627 1.00 0.00 H new ATOM 0 HA ASP A 81 8.150 8.314 -6.835 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.683 9.404 -7.123 1.00 0.00 H new ATOM 0 HB3 ASP A 81 11.008 7.686 -7.250 1.00 0.00 H new ATOM 1207 N THR A 82 10.279 6.498 -5.050 1.00 0.00 N ATOM 1208 CA THR A 82 10.543 5.172 -4.518 1.00 0.00 C ATOM 1209 C THR A 82 10.356 4.113 -5.606 1.00 0.00 C ATOM 1210 O THR A 82 9.599 3.160 -5.427 1.00 0.00 O ATOM 1211 CB THR A 82 9.636 4.962 -3.303 1.00 0.00 C ATOM 1212 OG1 THR A 82 9.817 3.588 -2.969 1.00 0.00 O ATOM 1213 CG2 THR A 82 8.151 5.067 -3.655 1.00 0.00 C ATOM 0 H THR A 82 10.925 7.221 -4.733 1.00 0.00 H new ATOM 0 HA THR A 82 11.578 5.076 -4.191 1.00 0.00 H new ATOM 0 HB THR A 82 9.880 5.698 -2.537 1.00 0.00 H new ATOM 0 HG1 THR A 82 9.420 3.027 -3.668 1.00 0.00 H new ATOM 0 HG21 THR A 82 7.552 4.910 -2.758 1.00 0.00 H new ATOM 0 HG22 THR A 82 7.943 6.057 -4.062 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.898 4.309 -4.397 1.00 0.00 H new ATOM 1221 N HIS A 83 11.059 4.315 -6.711 1.00 0.00 N ATOM 1222 CA HIS A 83 10.980 3.390 -7.828 1.00 0.00 C ATOM 1223 C HIS A 83 9.571 3.421 -8.422 1.00 0.00 C ATOM 1224 O HIS A 83 8.606 3.734 -7.725 1.00 0.00 O ATOM 1225 CB HIS A 83 11.413 1.986 -7.402 1.00 0.00 C ATOM 1226 CG HIS A 83 12.822 1.627 -7.809 1.00 0.00 C ATOM 1227 ND1 HIS A 83 13.500 0.540 -7.286 1.00 0.00 N ATOM 1228 CD2 HIS A 83 13.672 2.220 -8.696 1.00 0.00 C ATOM 1229 CE1 HIS A 83 14.703 0.492 -7.838 1.00 0.00 C ATOM 1230 NE2 HIS A 83 14.808 1.535 -8.711 1.00 0.00 N ATOM 0 H HIS A 83 11.686 5.106 -6.856 1.00 0.00 H new ATOM 0 HA HIS A 83 11.673 3.699 -8.610 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.327 1.904 -6.319 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.725 1.259 -7.833 1.00 0.00 H new ATOM 0 HD2 HIS A 83 13.457 3.098 -9.286 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.467 -0.244 -7.633 1.00 0.00 H new ATOM 0 HE2 HIS A 83 15.625 1.752 -9.281 1.00 0.00 H new ATOM 1238 N SER A 84 9.496 3.094 -9.704 1.00 0.00 N ATOM 1239 CA SER A 84 8.220 3.080 -10.399 1.00 0.00 C ATOM 1240 C SER A 84 8.219 1.985 -11.468 1.00 0.00 C ATOM 1241 O SER A 84 9.278 1.536 -11.903 1.00 0.00 O ATOM 1242 CB SER A 84 7.925 4.441 -11.034 1.00 0.00 C ATOM 1243 OG SER A 84 6.616 4.906 -10.715 1.00 0.00 O ATOM 0 H SER A 84 10.298 2.837 -10.279 1.00 0.00 H new ATOM 0 HA SER A 84 7.436 2.870 -9.672 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.661 5.168 -10.692 1.00 0.00 H new ATOM 0 HB3 SER A 84 8.030 4.366 -12.116 1.00 0.00 H new ATOM 0 HG SER A 84 6.467 5.778 -11.137 1.00 0.00 H new ATOM 1249 N TRP A 85 7.017 1.587 -11.859 1.00 0.00 N ATOM 1250 CA TRP A 85 6.863 0.553 -12.868 1.00 0.00 C ATOM 1251 C TRP A 85 6.616 1.238 -14.214 1.00 0.00 C ATOM 1252 O TRP A 85 6.204 2.396 -14.258 1.00 0.00 O ATOM 1253 CB TRP A 85 5.753 -0.428 -12.484 1.00 0.00 C ATOM 1254 CG TRP A 85 6.259 -1.717 -11.834 1.00 0.00 C ATOM 1255 CD1 TRP A 85 6.268 -2.037 -10.533 1.00 0.00 C ATOM 1256 CD2 TRP A 85 6.834 -2.854 -12.513 1.00 0.00 C ATOM 1257 NE1 TRP A 85 6.804 -3.292 -10.324 1.00 0.00 N ATOM 1258 CE2 TRP A 85 7.159 -3.804 -11.566 1.00 0.00 C ATOM 1259 CE3 TRP A 85 7.072 -3.072 -13.881 1.00 0.00 C ATOM 1260 CZ2 TRP A 85 7.740 -5.037 -11.886 1.00 0.00 C ATOM 1261 CZ3 TRP A 85 7.653 -4.309 -14.184 1.00 0.00 C ATOM 1262 CH2 TRP A 85 7.986 -5.276 -13.243 1.00 0.00 C ATOM 0 H TRP A 85 6.141 1.962 -11.495 1.00 0.00 H new ATOM 0 HA TRP A 85 7.769 -0.048 -12.944 1.00 0.00 H new ATOM 0 HB2 TRP A 85 5.066 0.067 -11.798 1.00 0.00 H new ATOM 0 HB3 TRP A 85 5.183 -0.683 -13.377 1.00 0.00 H new ATOM 0 HD1 TRP A 85 5.902 -1.394 -9.746 1.00 0.00 H new ATOM 0 HE1 TRP A 85 6.918 -3.758 -9.424 1.00 0.00 H new ATOM 0 HE3 TRP A 85 6.826 -2.343 -14.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 7.985 -5.765 -11.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 7.857 -4.527 -15.222 1.00 0.00 H new ATOM 0 HH2 TRP A 85 8.433 -6.208 -13.557 1.00 0.00 H new ATOM 1273 N GLU A 86 6.879 0.494 -15.278 1.00 0.00 N ATOM 1274 CA GLU A 86 6.690 1.015 -16.621 1.00 0.00 C ATOM 1275 C GLU A 86 7.661 2.168 -16.884 1.00 0.00 C ATOM 1276 O GLU A 86 8.227 2.733 -15.949 1.00 0.00 O ATOM 1277 CB GLU A 86 5.242 1.457 -16.839 1.00 0.00 C ATOM 1278 CG GLU A 86 4.507 0.489 -17.768 1.00 0.00 C ATOM 1279 CD GLU A 86 3.014 0.817 -17.833 1.00 0.00 C ATOM 1280 OE1 GLU A 86 2.656 1.671 -18.673 1.00 0.00 O ATOM 1281 OE2 GLU A 86 2.265 0.207 -17.040 1.00 0.00 O ATOM 0 H GLU A 86 7.222 -0.466 -15.237 1.00 0.00 H new ATOM 0 HA GLU A 86 6.902 0.217 -17.333 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.726 1.509 -15.880 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.224 2.460 -17.266 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.938 0.541 -18.768 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.643 -0.533 -17.415 1.00 0.00 H new ATOM 1288 N MET A 87 7.824 2.483 -18.161 1.00 0.00 N ATOM 1289 CA MET A 87 8.716 3.558 -18.558 1.00 0.00 C ATOM 1290 C MET A 87 8.330 4.111 -19.932 1.00 0.00 C ATOM 1291 O MET A 87 8.909 3.724 -20.946 1.00 0.00 O ATOM 1292 CB MET A 87 10.155 3.038 -18.603 1.00 0.00 C ATOM 1293 CG MET A 87 11.156 4.175 -18.389 1.00 0.00 C ATOM 1294 SD MET A 87 11.151 5.267 -19.801 1.00 0.00 S ATOM 1295 CE MET A 87 11.316 6.841 -18.977 1.00 0.00 C ATOM 0 H MET A 87 7.353 2.012 -18.934 1.00 0.00 H new ATOM 0 HA MET A 87 8.634 4.362 -17.827 1.00 0.00 H new ATOM 0 HB2 MET A 87 10.294 2.277 -17.835 1.00 0.00 H new ATOM 0 HB3 MET A 87 10.343 2.560 -19.564 1.00 0.00 H new ATOM 0 HG2 MET A 87 10.899 4.732 -17.488 1.00 0.00 H new ATOM 0 HG3 MET A 87 12.155 3.767 -18.238 1.00 0.00 H new ATOM 0 HE1 MET A 87 11.330 7.640 -19.718 1.00 0.00 H new ATOM 0 HE2 MET A 87 10.474 6.988 -18.301 1.00 0.00 H new ATOM 0 HE3 MET A 87 12.245 6.858 -18.408 1.00 0.00 H new ATOM 1305 N VAL A 88 7.355 5.008 -19.920 1.00 0.00 N ATOM 1306 CA VAL A 88 6.885 5.618 -21.152 1.00 0.00 C ATOM 1307 C VAL A 88 6.510 7.077 -20.883 1.00 0.00 C ATOM 1308 O VAL A 88 5.445 7.357 -20.336 1.00 0.00 O ATOM 1309 CB VAL A 88 5.729 4.802 -21.733 1.00 0.00 C ATOM 1310 CG1 VAL A 88 5.283 5.366 -23.083 1.00 0.00 C ATOM 1311 CG2 VAL A 88 6.108 3.324 -21.854 1.00 0.00 C ATOM 0 H VAL A 88 6.878 5.327 -19.077 1.00 0.00 H new ATOM 0 HA VAL A 88 7.675 5.618 -21.903 1.00 0.00 H new ATOM 0 HB VAL A 88 4.887 4.877 -21.045 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.460 4.767 -23.474 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.953 6.397 -22.955 1.00 0.00 H new ATOM 0 HG13 VAL A 88 6.118 5.336 -23.783 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.269 2.766 -22.270 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.972 3.223 -22.511 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.353 2.929 -20.868 1.00 0.00 H new ATOM 1321 N GLY A 89 7.407 7.968 -21.279 1.00 0.00 N ATOM 1322 CA GLY A 89 7.184 9.391 -21.087 1.00 0.00 C ATOM 1323 C GLY A 89 6.808 10.070 -22.406 1.00 0.00 C ATOM 1324 O GLY A 89 5.649 10.040 -22.816 1.00 0.00 O ATOM 0 H GLY A 89 8.290 7.732 -21.732 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.390 9.543 -20.356 1.00 0.00 H new ATOM 0 HA3 GLY A 89 8.084 9.852 -20.680 1.00 0.00 H new ATOM 1328 N LYS A 90 7.811 10.666 -23.035 1.00 0.00 N ATOM 1329 CA LYS A 90 7.601 11.351 -24.299 1.00 0.00 C ATOM 1330 C LYS A 90 6.420 12.313 -24.162 1.00 0.00 C ATOM 1331 O LYS A 90 5.395 12.142 -24.821 1.00 0.00 O ATOM 1332 CB LYS A 90 7.442 10.340 -25.436 1.00 0.00 C ATOM 1333 CG LYS A 90 8.089 10.856 -26.723 1.00 0.00 C ATOM 1334 CD LYS A 90 7.027 11.287 -27.736 1.00 0.00 C ATOM 1335 CE LYS A 90 6.821 12.802 -27.703 1.00 0.00 C ATOM 1336 NZ LYS A 90 5.793 13.207 -28.688 1.00 0.00 N ATOM 0 H LYS A 90 8.771 10.688 -22.692 1.00 0.00 H new ATOM 0 HA LYS A 90 8.474 11.951 -24.557 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.898 9.392 -25.151 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.384 10.146 -25.609 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.741 11.699 -26.494 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.716 10.077 -27.157 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.328 10.979 -28.737 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.085 10.783 -27.517 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.517 13.112 -26.703 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.762 13.308 -27.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.666 14.239 -28.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.098 12.928 -29.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.892 12.739 -28.462 1.00 0.00 H new ATOM 1350 N LYS A 91 6.602 13.305 -23.302 1.00 0.00 N ATOM 1351 CA LYS A 91 5.564 14.295 -23.070 1.00 0.00 C ATOM 1352 C LYS A 91 6.140 15.448 -22.246 1.00 0.00 C ATOM 1353 O LYS A 91 7.061 15.251 -21.454 1.00 0.00 O ATOM 1354 CB LYS A 91 4.333 13.643 -22.439 1.00 0.00 C ATOM 1355 CG LYS A 91 3.087 13.881 -23.294 1.00 0.00 C ATOM 1356 CD LYS A 91 2.306 15.100 -22.797 1.00 0.00 C ATOM 1357 CE LYS A 91 2.223 16.177 -23.880 1.00 0.00 C ATOM 1358 NZ LYS A 91 0.869 16.772 -23.918 1.00 0.00 N ATOM 0 H LYS A 91 7.453 13.444 -22.757 1.00 0.00 H new ATOM 0 HA LYS A 91 5.223 14.718 -24.015 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.502 12.572 -22.326 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.175 14.048 -21.439 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.378 14.030 -24.334 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.448 12.999 -23.265 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.301 14.797 -22.503 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.789 15.508 -21.909 1.00 0.00 H new ATOM 0 HE2 LYS A 91 2.962 16.954 -23.686 1.00 0.00 H new ATOM 0 HE3 LYS A 91 2.463 15.744 -24.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.831 17.501 -24.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.170 16.031 -24.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.653 17.203 -22.997 1.00 0.00 H new ATOM 1372 N LYS A 92 5.575 16.627 -22.460 1.00 0.00 N ATOM 1373 CA LYS A 92 6.020 17.812 -21.747 1.00 0.00 C ATOM 1374 C LYS A 92 4.819 18.478 -21.073 1.00 0.00 C ATOM 1375 O LYS A 92 4.754 18.553 -19.847 1.00 0.00 O ATOM 1376 CB LYS A 92 6.794 18.742 -22.684 1.00 0.00 C ATOM 1377 CG LYS A 92 8.242 18.276 -22.846 1.00 0.00 C ATOM 1378 CD LYS A 92 9.220 19.341 -22.346 1.00 0.00 C ATOM 1379 CE LYS A 92 9.604 19.090 -20.886 1.00 0.00 C ATOM 1380 NZ LYS A 92 11.075 19.018 -20.742 1.00 0.00 N ATOM 0 H LYS A 92 4.812 16.787 -23.118 1.00 0.00 H new ATOM 0 HA LYS A 92 6.719 17.541 -20.956 1.00 0.00 H new ATOM 0 HB2 LYS A 92 6.306 18.770 -23.658 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.777 19.758 -22.289 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.394 17.349 -22.292 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.442 18.057 -23.895 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.116 19.338 -22.967 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.769 20.328 -22.443 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.210 19.889 -20.258 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.153 18.160 -20.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.318 18.847 -19.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.443 18.241 -21.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.499 19.916 -21.053 1.00 0.00 H new ATOM 1394 N GLY A 93 3.898 18.944 -21.903 1.00 0.00 N ATOM 1395 CA GLY A 93 2.703 19.601 -21.403 1.00 0.00 C ATOM 1396 C GLY A 93 3.049 20.596 -20.292 1.00 0.00 C ATOM 1397 O GLY A 93 2.783 20.339 -19.119 1.00 0.00 O ATOM 0 H GLY A 93 3.955 18.879 -22.919 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.201 20.121 -22.219 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.005 18.855 -21.024 1.00 0.00 H new ATOM 1401 N VAL A 94 3.635 21.711 -20.702 1.00 0.00 N ATOM 1402 CA VAL A 94 4.020 22.745 -19.757 1.00 0.00 C ATOM 1403 C VAL A 94 3.610 24.112 -20.309 1.00 0.00 C ATOM 1404 O VAL A 94 3.797 24.389 -21.492 1.00 0.00 O ATOM 1405 CB VAL A 94 5.517 22.647 -19.454 1.00 0.00 C ATOM 1406 CG1 VAL A 94 5.837 21.365 -18.684 1.00 0.00 C ATOM 1407 CG2 VAL A 94 6.343 22.737 -20.739 1.00 0.00 C ATOM 0 H VAL A 94 3.853 21.921 -21.676 1.00 0.00 H new ATOM 0 HA VAL A 94 3.501 22.608 -18.808 1.00 0.00 H new ATOM 0 HB VAL A 94 5.788 23.493 -18.822 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.907 21.320 -18.481 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.289 21.360 -17.742 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.544 20.500 -19.279 1.00 0.00 H new ATOM 0 HG21 VAL A 94 7.403 22.665 -20.496 1.00 0.00 H new ATOM 0 HG22 VAL A 94 6.067 21.921 -21.407 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.148 23.690 -21.231 1.00 0.00 H new ATOM 1417 N SER A 95 3.058 24.930 -19.424 1.00 0.00 N ATOM 1418 CA SER A 95 2.620 26.261 -19.808 1.00 0.00 C ATOM 1419 C SER A 95 3.611 27.307 -19.293 1.00 0.00 C ATOM 1420 O SER A 95 4.202 28.047 -20.079 1.00 0.00 O ATOM 1421 CB SER A 95 1.216 26.554 -19.275 1.00 0.00 C ATOM 1422 OG SER A 95 0.265 26.700 -20.327 1.00 0.00 O ATOM 0 H SER A 95 2.904 24.697 -18.443 1.00 0.00 H new ATOM 0 HA SER A 95 2.584 26.308 -20.896 1.00 0.00 H new ATOM 0 HB2 SER A 95 0.904 25.746 -18.613 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.238 27.465 -18.677 1.00 0.00 H new ATOM 0 HG SER A 95 -0.619 26.884 -19.946 1.00 0.00 H new ATOM 1428 N GLY A 96 3.763 27.335 -17.977 1.00 0.00 N ATOM 1429 CA GLY A 96 4.673 28.278 -17.349 1.00 0.00 C ATOM 1430 C GLY A 96 3.935 29.547 -16.917 1.00 0.00 C ATOM 1431 O GLY A 96 2.842 29.830 -17.406 1.00 0.00 O ATOM 0 H GLY A 96 3.271 26.720 -17.329 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.143 27.813 -16.482 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.472 28.536 -18.044 1.00 0.00 H new ATOM 1435 N GLN A 97 4.562 30.276 -16.006 1.00 0.00 N ATOM 1436 CA GLN A 97 3.978 31.508 -15.503 1.00 0.00 C ATOM 1437 C GLN A 97 4.933 32.183 -14.516 1.00 0.00 C ATOM 1438 O GLN A 97 5.650 31.507 -13.779 1.00 0.00 O ATOM 1439 CB GLN A 97 2.616 31.246 -14.857 1.00 0.00 C ATOM 1440 CG GLN A 97 1.682 32.444 -15.043 1.00 0.00 C ATOM 1441 CD GLN A 97 0.233 31.986 -15.218 1.00 0.00 C ATOM 1442 OE1 GLN A 97 -0.082 30.808 -15.182 1.00 0.00 O ATOM 1443 NE2 GLN A 97 -0.629 32.980 -15.411 1.00 0.00 N ATOM 0 H GLN A 97 5.468 30.038 -15.603 1.00 0.00 H new ATOM 0 HA GLN A 97 3.820 32.182 -16.345 1.00 0.00 H new ATOM 0 HB2 GLN A 97 2.165 30.357 -15.298 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.746 31.043 -13.794 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.757 33.105 -14.180 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.993 33.021 -15.914 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -0.299 33.945 -15.430 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -1.620 32.778 -15.540 1.00 0.00 H new ATOM 1452 N LYS A 98 4.911 33.508 -14.533 1.00 0.00 N ATOM 1453 CA LYS A 98 5.766 34.281 -13.648 1.00 0.00 C ATOM 1454 C LYS A 98 5.233 35.713 -13.555 1.00 0.00 C ATOM 1455 O LYS A 98 4.769 36.272 -14.547 1.00 0.00 O ATOM 1456 CB LYS A 98 7.224 34.196 -14.102 1.00 0.00 C ATOM 1457 CG LYS A 98 8.161 34.799 -13.054 1.00 0.00 C ATOM 1458 CD LYS A 98 9.385 35.437 -13.715 1.00 0.00 C ATOM 1459 CE LYS A 98 10.208 36.229 -12.696 1.00 0.00 C ATOM 1460 NZ LYS A 98 11.611 35.759 -12.686 1.00 0.00 N ATOM 0 H LYS A 98 4.315 34.065 -15.145 1.00 0.00 H new ATOM 0 HA LYS A 98 5.746 33.866 -12.640 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.493 33.155 -14.279 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.345 34.722 -15.049 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.626 35.549 -12.471 1.00 0.00 H new ATOM 0 HG3 LYS A 98 8.482 34.023 -12.358 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.005 34.662 -14.165 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.065 36.097 -14.521 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.176 37.291 -12.940 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.774 36.117 -11.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 12.156 36.307 -11.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.638 34.751 -12.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.027 35.889 -13.630 1.00 0.00 H new ATOM 1474 N SER A 99 5.318 36.264 -12.353 1.00 0.00 N ATOM 1475 CA SER A 99 4.850 37.620 -12.117 1.00 0.00 C ATOM 1476 C SER A 99 5.323 38.105 -10.746 1.00 0.00 C ATOM 1477 O SER A 99 5.491 37.307 -9.825 1.00 0.00 O ATOM 1478 CB SER A 99 3.325 37.700 -12.212 1.00 0.00 C ATOM 1479 OG SER A 99 2.899 38.752 -13.074 1.00 0.00 O ATOM 0 H SER A 99 5.704 35.797 -11.532 1.00 0.00 H new ATOM 0 HA SER A 99 5.269 38.266 -12.888 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.934 36.751 -12.578 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.907 37.855 -11.217 1.00 0.00 H new ATOM 0 HG SER A 99 1.920 38.769 -13.110 1.00 0.00 H new ATOM 1485 N GLY A 100 5.524 39.411 -10.653 1.00 0.00 N ATOM 1486 CA GLY A 100 5.975 40.013 -9.409 1.00 0.00 C ATOM 1487 C GLY A 100 6.011 41.538 -9.519 1.00 0.00 C ATOM 1488 O GLY A 100 7.049 42.117 -9.835 1.00 0.00 O ATOM 0 H GLY A 100 5.383 40.070 -11.419 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.310 39.719 -8.597 1.00 0.00 H new ATOM 0 HA3 GLY A 100 6.968 39.639 -9.159 1.00 0.00 H new ATOM 1492 N PRO A 101 4.834 42.162 -9.245 1.00 0.00 N ATOM 1493 CA PRO A 101 4.721 43.609 -9.310 1.00 0.00 C ATOM 1494 C PRO A 101 5.391 44.267 -8.101 1.00 0.00 C ATOM 1495 O PRO A 101 5.882 43.577 -7.209 1.00 0.00 O ATOM 1496 CB PRO A 101 3.228 43.885 -9.385 1.00 0.00 C ATOM 1497 CG PRO A 101 2.546 42.619 -8.892 1.00 0.00 C ATOM 1498 CD PRO A 101 3.584 41.509 -8.867 1.00 0.00 C ATOM 0 HA PRO A 101 5.234 44.032 -10.174 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.957 44.741 -8.767 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.925 44.120 -10.405 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.128 42.773 -7.897 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.717 42.352 -9.548 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.657 41.057 -7.878 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.327 40.711 -9.564 1.00 0.00 H new ATOM 1506 N SER A 102 5.388 45.591 -8.112 1.00 0.00 N ATOM 1507 CA SER A 102 5.990 46.349 -7.027 1.00 0.00 C ATOM 1508 C SER A 102 5.405 47.763 -6.990 1.00 0.00 C ATOM 1509 O SER A 102 4.706 48.174 -7.915 1.00 0.00 O ATOM 1510 CB SER A 102 7.511 46.407 -7.174 1.00 0.00 C ATOM 1511 OG SER A 102 8.178 45.883 -6.028 1.00 0.00 O ATOM 0 H SER A 102 4.979 46.159 -8.854 1.00 0.00 H new ATOM 0 HA SER A 102 5.762 45.844 -6.088 1.00 0.00 H new ATOM 0 HB2 SER A 102 7.812 45.844 -8.058 1.00 0.00 H new ATOM 0 HB3 SER A 102 7.821 47.440 -7.333 1.00 0.00 H new ATOM 0 HG SER A 102 9.147 45.936 -6.161 1.00 0.00 H new ATOM 1517 N SER A 103 5.714 48.468 -5.912 1.00 0.00 N ATOM 1518 CA SER A 103 5.228 49.827 -5.742 1.00 0.00 C ATOM 1519 C SER A 103 6.145 50.595 -4.788 1.00 0.00 C ATOM 1520 O SER A 103 6.983 49.999 -4.113 1.00 0.00 O ATOM 1521 CB SER A 103 3.790 49.837 -5.219 1.00 0.00 C ATOM 1522 OG SER A 103 3.723 49.500 -3.836 1.00 0.00 O ATOM 0 H SER A 103 6.295 48.124 -5.147 1.00 0.00 H new ATOM 0 HA SER A 103 5.235 50.317 -6.716 1.00 0.00 H new ATOM 0 HB2 SER A 103 3.355 50.824 -5.373 1.00 0.00 H new ATOM 0 HB3 SER A 103 3.190 49.131 -5.794 1.00 0.00 H new ATOM 0 HG SER A 103 2.789 49.519 -3.540 1.00 0.00 H new ATOM 1528 N GLY A 104 5.955 51.906 -4.763 1.00 0.00 N ATOM 1529 CA GLY A 104 6.754 52.761 -3.903 1.00 0.00 C ATOM 1530 C GLY A 104 7.097 54.077 -4.604 1.00 0.00 C ATOM 1531 O GLY A 104 7.609 55.004 -3.977 1.00 0.00 O ATOM 0 H GLY A 104 5.259 52.397 -5.325 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.209 52.967 -2.982 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.672 52.244 -3.622 1.00 0.00 H new TER 1535 GLY A 104