USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 531 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 39 TYR OH : rot 130:sc= -0.703 USER MOD Set 1.2: A 49 ASN : amide:sc= -6.71! C(o=-7.4!,f=-8.5!) USER MOD Single : A 1 GLY N :NH3+ -140:sc= 0.0946 (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 MET CE :methyl 170:sc= 0 (180deg=-0.0203) USER MOD Single : A 9 CYS SG : rot 27:sc= 0.00523 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -47:sc= -0.0475 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 146:sc= -0.311 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -1.51 K(o=-1.5,f=-2.5!) USER MOD Single : A 48 ASN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0.86 K(o=0.86,f=-0.36) USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.141 X(o=-0.14,f=0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.968 -2.244 16.970 1.00 0.00 N ATOM 2 CA GLY A 1 -8.116 -1.175 17.944 1.00 0.00 C ATOM 3 C GLY A 1 -9.517 -1.184 18.559 1.00 0.00 C ATOM 4 O GLY A 1 -10.260 -2.152 18.405 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.023 -2.669 17.062 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.693 -2.971 17.139 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.082 -1.858 16.011 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.369 -1.288 18.730 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.931 -0.213 17.465 1.00 0.00 H new ATOM 8 N SER A 2 -9.835 -0.095 19.244 1.00 0.00 N ATOM 9 CA SER A 2 -11.133 0.034 19.883 1.00 0.00 C ATOM 10 C SER A 2 -11.516 1.511 19.994 1.00 0.00 C ATOM 11 O SER A 2 -11.193 2.167 20.983 1.00 0.00 O ATOM 12 CB SER A 2 -11.134 -0.620 21.266 1.00 0.00 C ATOM 13 OG SER A 2 -12.278 -1.445 21.466 1.00 0.00 O ATOM 0 H SER A 2 -9.216 0.706 19.370 1.00 0.00 H new ATOM 0 HA SER A 2 -11.870 -0.481 19.267 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.231 -1.218 21.385 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.107 0.154 22.033 1.00 0.00 H new ATOM 0 HG SER A 2 -12.240 -1.845 22.360 1.00 0.00 H new ATOM 19 N SER A 3 -12.200 1.991 18.966 1.00 0.00 N ATOM 20 CA SER A 3 -12.631 3.379 18.936 1.00 0.00 C ATOM 21 C SER A 3 -11.413 4.305 18.956 1.00 0.00 C ATOM 22 O SER A 3 -11.011 4.785 20.014 1.00 0.00 O ATOM 23 CB SER A 3 -13.557 3.694 20.113 1.00 0.00 C ATOM 24 OG SER A 3 -14.436 4.778 19.825 1.00 0.00 O ATOM 0 H SER A 3 -12.467 1.444 18.148 1.00 0.00 H new ATOM 0 HA SER A 3 -13.190 3.544 18.015 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.142 2.809 20.361 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.958 3.936 20.991 1.00 0.00 H new ATOM 0 HG SER A 3 -15.012 4.947 20.600 1.00 0.00 H new ATOM 30 N GLY A 4 -10.861 4.529 17.772 1.00 0.00 N ATOM 31 CA GLY A 4 -9.698 5.390 17.640 1.00 0.00 C ATOM 32 C GLY A 4 -9.801 6.264 16.389 1.00 0.00 C ATOM 33 O GLY A 4 -10.157 7.438 16.475 1.00 0.00 O ATOM 0 H GLY A 4 -11.198 4.129 16.896 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.607 6.022 18.523 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.795 4.782 17.589 1.00 0.00 H new ATOM 37 N SER A 5 -9.484 5.657 15.254 1.00 0.00 N ATOM 38 CA SER A 5 -9.537 6.365 13.987 1.00 0.00 C ATOM 39 C SER A 5 -10.237 5.502 12.934 1.00 0.00 C ATOM 40 O SER A 5 -9.799 4.389 12.648 1.00 0.00 O ATOM 41 CB SER A 5 -8.134 6.748 13.511 1.00 0.00 C ATOM 42 OG SER A 5 -8.155 7.876 12.641 1.00 0.00 O ATOM 0 H SER A 5 -9.190 4.683 15.186 1.00 0.00 H new ATOM 0 HA SER A 5 -10.106 7.283 14.132 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.506 6.968 14.374 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.682 5.901 12.995 1.00 0.00 H new ATOM 0 HG SER A 5 -7.241 8.090 12.361 1.00 0.00 H new ATOM 48 N SER A 6 -11.312 6.049 12.387 1.00 0.00 N ATOM 49 CA SER A 6 -12.076 5.344 11.372 1.00 0.00 C ATOM 50 C SER A 6 -12.691 6.344 10.391 1.00 0.00 C ATOM 51 O SER A 6 -13.418 7.250 10.795 1.00 0.00 O ATOM 52 CB SER A 6 -13.170 4.482 12.007 1.00 0.00 C ATOM 53 OG SER A 6 -13.688 3.519 11.093 1.00 0.00 O ATOM 0 H SER A 6 -11.672 6.972 12.627 1.00 0.00 H new ATOM 0 HA SER A 6 -11.398 4.684 10.831 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.767 3.972 12.882 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.980 5.123 12.356 1.00 0.00 H new ATOM 0 HG SER A 6 -14.382 2.988 11.536 1.00 0.00 H new ATOM 59 N GLY A 7 -12.376 6.145 9.119 1.00 0.00 N ATOM 60 CA GLY A 7 -12.888 7.018 8.076 1.00 0.00 C ATOM 61 C GLY A 7 -11.830 8.034 7.643 1.00 0.00 C ATOM 62 O GLY A 7 -11.867 9.191 8.060 1.00 0.00 O ATOM 0 H GLY A 7 -11.773 5.392 8.787 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.198 6.422 7.218 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.773 7.541 8.437 1.00 0.00 H new ATOM 66 N MET A 8 -10.911 7.566 6.811 1.00 0.00 N ATOM 67 CA MET A 8 -9.844 8.419 6.316 1.00 0.00 C ATOM 68 C MET A 8 -9.701 8.294 4.798 1.00 0.00 C ATOM 69 O MET A 8 -9.957 7.232 4.233 1.00 0.00 O ATOM 70 CB MET A 8 -8.526 8.029 6.988 1.00 0.00 C ATOM 71 CG MET A 8 -8.120 6.603 6.612 1.00 0.00 C ATOM 72 SD MET A 8 -8.920 5.434 7.698 1.00 0.00 S ATOM 73 CE MET A 8 -9.323 4.149 6.527 1.00 0.00 C ATOM 0 H MET A 8 -10.883 6.606 6.467 1.00 0.00 H new ATOM 0 HA MET A 8 -10.091 9.454 6.554 1.00 0.00 H new ATOM 0 HB2 MET A 8 -7.742 8.725 6.690 1.00 0.00 H new ATOM 0 HB3 MET A 8 -8.628 8.109 8.070 1.00 0.00 H new ATOM 0 HG2 MET A 8 -8.396 6.398 5.577 1.00 0.00 H new ATOM 0 HG3 MET A 8 -7.038 6.494 6.681 1.00 0.00 H new ATOM 0 HE1 MET A 8 -9.668 3.264 7.062 1.00 0.00 H new ATOM 0 HE2 MET A 8 -10.110 4.499 5.859 1.00 0.00 H new ATOM 0 HE3 MET A 8 -8.437 3.898 5.944 1.00 0.00 H new ATOM 83 N CYS A 9 -9.292 9.393 4.182 1.00 0.00 N ATOM 84 CA CYS A 9 -9.112 9.419 2.740 1.00 0.00 C ATOM 85 C CYS A 9 -8.686 10.832 2.335 1.00 0.00 C ATOM 86 O CYS A 9 -9.115 11.811 2.942 1.00 0.00 O ATOM 87 CB CYS A 9 -10.375 8.970 2.004 1.00 0.00 C ATOM 88 SG CYS A 9 -11.801 9.990 2.530 1.00 0.00 S ATOM 0 H CYS A 9 -9.080 10.272 4.654 1.00 0.00 H new ATOM 0 HA CYS A 9 -8.334 8.710 2.455 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -10.230 9.060 0.927 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -10.573 7.918 2.212 1.00 0.00 H new ATOM 0 HG CYS A 9 -11.379 11.154 2.926 1.00 0.00 H new ATOM 94 N GLY A 10 -7.847 10.892 1.312 1.00 0.00 N ATOM 95 CA GLY A 10 -7.358 12.168 0.818 1.00 0.00 C ATOM 96 C GLY A 10 -5.920 12.419 1.276 1.00 0.00 C ATOM 97 O GLY A 10 -4.973 11.969 0.632 1.00 0.00 O ATOM 0 H GLY A 10 -7.493 10.077 0.811 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.404 12.182 -0.271 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.003 12.971 1.175 1.00 0.00 H new ATOM 101 N VAL A 11 -5.801 13.135 2.384 1.00 0.00 N ATOM 102 CA VAL A 11 -4.494 13.451 2.935 1.00 0.00 C ATOM 103 C VAL A 11 -3.925 12.211 3.629 1.00 0.00 C ATOM 104 O VAL A 11 -2.890 11.688 3.221 1.00 0.00 O ATOM 105 CB VAL A 11 -4.597 14.662 3.864 1.00 0.00 C ATOM 106 CG1 VAL A 11 -3.420 14.705 4.840 1.00 0.00 C ATOM 107 CG2 VAL A 11 -4.693 15.961 3.062 1.00 0.00 C ATOM 0 H VAL A 11 -6.589 13.506 2.916 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.800 13.726 2.140 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.512 14.561 4.447 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.517 15.575 5.489 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.417 13.799 5.446 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.486 14.771 4.281 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.765 16.806 3.746 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.804 16.072 2.441 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.578 15.932 2.427 1.00 0.00 H new ATOM 117 N GLU A 12 -4.627 11.778 4.666 1.00 0.00 N ATOM 118 CA GLU A 12 -4.205 10.610 5.420 1.00 0.00 C ATOM 119 C GLU A 12 -3.764 9.496 4.469 1.00 0.00 C ATOM 120 O GLU A 12 -2.629 9.026 4.542 1.00 0.00 O ATOM 121 CB GLU A 12 -5.318 10.128 6.352 1.00 0.00 C ATOM 122 CG GLU A 12 -5.400 11.000 7.606 1.00 0.00 C ATOM 123 CD GLU A 12 -6.502 12.053 7.471 1.00 0.00 C ATOM 124 OE1 GLU A 12 -7.653 11.640 7.213 1.00 0.00 O ATOM 125 OE2 GLU A 12 -6.168 13.247 7.628 1.00 0.00 O ATOM 0 H GLU A 12 -5.485 12.215 5.002 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.353 10.889 6.040 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -6.273 10.151 5.826 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -5.135 9.092 6.637 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.595 10.374 8.477 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.442 11.491 7.775 1.00 0.00 H new ATOM 132 N LEU A 13 -4.683 9.105 3.599 1.00 0.00 N ATOM 133 CA LEU A 13 -4.403 8.054 2.636 1.00 0.00 C ATOM 134 C LEU A 13 -2.984 8.232 2.092 1.00 0.00 C ATOM 135 O LEU A 13 -2.193 7.289 2.091 1.00 0.00 O ATOM 136 CB LEU A 13 -5.479 8.024 1.548 1.00 0.00 C ATOM 137 CG LEU A 13 -5.675 6.684 0.835 1.00 0.00 C ATOM 138 CD1 LEU A 13 -7.014 6.648 0.096 1.00 0.00 C ATOM 139 CD2 LEU A 13 -4.498 6.380 -0.094 1.00 0.00 C ATOM 0 H LEU A 13 -5.623 9.497 3.541 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.441 7.077 3.117 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.429 8.317 1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.233 8.778 0.800 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.702 5.896 1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.129 5.685 -0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.827 6.787 0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.042 7.446 -0.646 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.662 5.422 -0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.414 7.166 -0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.577 6.335 0.488 1.00 0.00 H new ATOM 151 N ASP A 14 -2.704 9.446 1.644 1.00 0.00 N ATOM 152 CA ASP A 14 -1.394 9.759 1.099 1.00 0.00 C ATOM 153 C ASP A 14 -0.315 9.312 2.088 1.00 0.00 C ATOM 154 O ASP A 14 0.597 8.571 1.724 1.00 0.00 O ATOM 155 CB ASP A 14 -1.235 11.265 0.876 1.00 0.00 C ATOM 156 CG ASP A 14 -0.170 11.658 -0.150 1.00 0.00 C ATOM 157 OD1 ASP A 14 0.714 10.811 -0.402 1.00 0.00 O ATOM 158 OD2 ASP A 14 -0.263 12.796 -0.657 1.00 0.00 O ATOM 0 H ASP A 14 -3.362 10.225 1.647 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.293 9.240 0.146 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.194 11.673 0.556 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -0.991 11.734 1.829 1.00 0.00 H new ATOM 163 N SER A 15 -0.455 9.781 3.319 1.00 0.00 N ATOM 164 CA SER A 15 0.496 9.438 4.363 1.00 0.00 C ATOM 165 C SER A 15 0.683 7.921 4.423 1.00 0.00 C ATOM 166 O SER A 15 1.809 7.428 4.367 1.00 0.00 O ATOM 167 CB SER A 15 0.038 9.971 5.722 1.00 0.00 C ATOM 168 OG SER A 15 0.264 11.372 5.850 1.00 0.00 O ATOM 0 H SER A 15 -1.212 10.396 3.617 1.00 0.00 H new ATOM 0 HA SER A 15 1.451 9.906 4.123 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.023 9.761 5.854 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.568 9.444 6.515 1.00 0.00 H new ATOM 0 HG SER A 15 -0.043 11.674 6.730 1.00 0.00 H new ATOM 174 N LEU A 16 -0.437 7.223 4.536 1.00 0.00 N ATOM 175 CA LEU A 16 -0.410 5.772 4.604 1.00 0.00 C ATOM 176 C LEU A 16 0.520 5.231 3.516 1.00 0.00 C ATOM 177 O LEU A 16 1.245 4.263 3.740 1.00 0.00 O ATOM 178 CB LEU A 16 -1.830 5.206 4.536 1.00 0.00 C ATOM 179 CG LEU A 16 -2.784 5.650 5.647 1.00 0.00 C ATOM 180 CD1 LEU A 16 -4.172 5.036 5.457 1.00 0.00 C ATOM 181 CD2 LEU A 16 -2.202 5.334 7.027 1.00 0.00 C ATOM 0 H LEU A 16 -1.369 7.635 4.582 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.006 5.443 5.561 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.266 5.486 3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.767 4.118 4.552 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.900 6.732 5.585 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.830 5.368 6.260 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.582 5.353 4.498 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.095 3.949 5.477 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.899 5.659 7.799 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.038 4.260 7.115 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.254 5.857 7.151 1.00 0.00 H new ATOM 193 N ILE A 17 0.469 5.880 2.362 1.00 0.00 N ATOM 194 CA ILE A 17 1.298 5.477 1.240 1.00 0.00 C ATOM 195 C ILE A 17 2.748 5.884 1.510 1.00 0.00 C ATOM 196 O ILE A 17 3.621 5.028 1.648 1.00 0.00 O ATOM 197 CB ILE A 17 0.736 6.035 -0.069 1.00 0.00 C ATOM 198 CG1 ILE A 17 -0.669 5.492 -0.339 1.00 0.00 C ATOM 199 CG2 ILE A 17 1.689 5.764 -1.235 1.00 0.00 C ATOM 200 CD1 ILE A 17 -1.350 6.270 -1.466 1.00 0.00 C ATOM 0 H ILE A 17 -0.134 6.682 2.180 1.00 0.00 H new ATOM 0 HA ILE A 17 1.287 4.393 1.128 1.00 0.00 H new ATOM 0 HB ILE A 17 0.649 7.117 0.031 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.610 4.437 -0.605 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.269 5.559 0.568 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.265 6.171 -2.153 1.00 0.00 H new ATOM 0 HG22 ILE A 17 2.650 6.239 -1.037 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.831 4.689 -1.346 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.347 5.864 -1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.429 7.321 -1.187 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.760 6.181 -2.378 1.00 0.00 H new ATOM 212 N SER A 18 2.960 7.190 1.576 1.00 0.00 N ATOM 213 CA SER A 18 4.289 7.721 1.827 1.00 0.00 C ATOM 214 C SER A 18 4.979 6.906 2.923 1.00 0.00 C ATOM 215 O SER A 18 6.136 6.516 2.776 1.00 0.00 O ATOM 216 CB SER A 18 4.227 9.197 2.223 1.00 0.00 C ATOM 217 OG SER A 18 3.886 9.368 3.596 1.00 0.00 O ATOM 0 H SER A 18 2.233 7.896 1.460 1.00 0.00 H new ATOM 0 HA SER A 18 4.868 7.644 0.906 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.192 9.665 2.028 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.493 9.709 1.601 1.00 0.00 H new ATOM 0 HG SER A 18 3.119 8.799 3.816 1.00 0.00 H new ATOM 223 N GLN A 19 4.240 6.674 3.998 1.00 0.00 N ATOM 224 CA GLN A 19 4.767 5.913 5.118 1.00 0.00 C ATOM 225 C GLN A 19 5.437 4.631 4.621 1.00 0.00 C ATOM 226 O GLN A 19 6.624 4.413 4.862 1.00 0.00 O ATOM 227 CB GLN A 19 3.666 5.598 6.133 1.00 0.00 C ATOM 228 CG GLN A 19 3.257 6.853 6.907 1.00 0.00 C ATOM 229 CD GLN A 19 3.443 6.653 8.412 1.00 0.00 C ATOM 230 OE1 GLN A 19 4.369 7.160 9.022 1.00 0.00 O ATOM 231 NE2 GLN A 19 2.512 5.888 8.975 1.00 0.00 N ATOM 0 H GLN A 19 3.281 7.000 4.117 1.00 0.00 H new ATOM 0 HA GLN A 19 5.519 6.520 5.623 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.799 5.186 5.617 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.016 4.835 6.829 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.854 7.702 6.573 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.215 7.093 6.694 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.763 5.494 8.406 1.00 0.00 H new ATOM 0 HE22 GLN A 19 2.547 5.695 9.976 1.00 0.00 H new ATOM 240 N VAL A 20 4.649 3.816 3.935 1.00 0.00 N ATOM 241 CA VAL A 20 5.152 2.562 3.402 1.00 0.00 C ATOM 242 C VAL A 20 6.208 2.854 2.334 1.00 0.00 C ATOM 243 O VAL A 20 7.326 2.347 2.407 1.00 0.00 O ATOM 244 CB VAL A 20 3.991 1.713 2.879 1.00 0.00 C ATOM 245 CG1 VAL A 20 4.506 0.494 2.110 1.00 0.00 C ATOM 246 CG2 VAL A 20 3.063 1.290 4.020 1.00 0.00 C ATOM 0 H VAL A 20 3.666 4.000 3.736 1.00 0.00 H new ATOM 0 HA VAL A 20 5.636 1.980 4.186 1.00 0.00 H new ATOM 0 HB VAL A 20 3.413 2.326 2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.661 -0.092 1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.106 0.825 1.262 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.118 -0.120 2.770 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.247 0.688 3.621 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.624 0.704 4.747 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.656 2.177 4.506 1.00 0.00 H new ATOM 256 N LYS A 21 5.815 3.669 1.366 1.00 0.00 N ATOM 257 CA LYS A 21 6.714 4.034 0.285 1.00 0.00 C ATOM 258 C LYS A 21 8.093 4.362 0.862 1.00 0.00 C ATOM 259 O LYS A 21 9.091 3.753 0.478 1.00 0.00 O ATOM 260 CB LYS A 21 6.114 5.166 -0.552 1.00 0.00 C ATOM 261 CG LYS A 21 6.321 4.912 -2.047 1.00 0.00 C ATOM 262 CD LYS A 21 7.220 5.984 -2.666 1.00 0.00 C ATOM 263 CE LYS A 21 7.797 5.511 -4.001 1.00 0.00 C ATOM 264 NZ LYS A 21 8.118 6.669 -4.866 1.00 0.00 N ATOM 0 H LYS A 21 4.886 4.087 1.308 1.00 0.00 H new ATOM 0 HA LYS A 21 6.845 3.196 -0.400 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.049 5.255 -0.339 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.576 6.113 -0.273 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.768 3.929 -2.194 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.357 4.903 -2.555 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.649 6.900 -2.817 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.032 6.224 -1.979 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.696 4.920 -3.826 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.081 4.861 -4.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.509 6.330 -5.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.253 7.217 -5.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.818 7.274 -4.391 1.00 0.00 H new ATOM 278 N ASP A 22 8.105 5.322 1.775 1.00 0.00 N ATOM 279 CA ASP A 22 9.344 5.737 2.409 1.00 0.00 C ATOM 280 C ASP A 22 10.153 4.498 2.799 1.00 0.00 C ATOM 281 O ASP A 22 11.381 4.508 2.734 1.00 0.00 O ATOM 282 CB ASP A 22 9.070 6.542 3.680 1.00 0.00 C ATOM 283 CG ASP A 22 10.185 7.507 4.088 1.00 0.00 C ATOM 284 OD1 ASP A 22 11.316 7.014 4.290 1.00 0.00 O ATOM 285 OD2 ASP A 22 9.882 8.715 4.189 1.00 0.00 O ATOM 0 H ASP A 22 7.275 5.825 2.091 1.00 0.00 H new ATOM 0 HA ASP A 22 9.893 6.357 1.701 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.151 7.111 3.540 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.893 5.847 4.501 1.00 0.00 H new ATOM 290 N LEU A 23 9.431 3.460 3.195 1.00 0.00 N ATOM 291 CA LEU A 23 10.065 2.216 3.595 1.00 0.00 C ATOM 292 C LEU A 23 10.370 1.380 2.350 1.00 0.00 C ATOM 293 O LEU A 23 11.409 0.725 2.277 1.00 0.00 O ATOM 294 CB LEU A 23 9.208 1.486 4.630 1.00 0.00 C ATOM 295 CG LEU A 23 8.878 2.271 5.902 1.00 0.00 C ATOM 296 CD1 LEU A 23 8.209 1.372 6.943 1.00 0.00 C ATOM 297 CD2 LEU A 23 10.124 2.962 6.458 1.00 0.00 C ATOM 0 H LEU A 23 8.412 3.455 3.247 1.00 0.00 H new ATOM 0 HA LEU A 23 11.017 2.415 4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.272 1.192 4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.722 0.568 4.916 1.00 0.00 H new ATOM 0 HG LEU A 23 8.163 3.053 5.645 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.985 1.954 7.837 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.284 0.967 6.533 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.880 0.553 7.202 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.862 3.513 7.361 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.880 2.213 6.696 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.519 3.653 5.714 1.00 0.00 H new ATOM 309 N LEU A 24 9.446 1.431 1.402 1.00 0.00 N ATOM 310 CA LEU A 24 9.603 0.686 0.163 1.00 0.00 C ATOM 311 C LEU A 24 9.454 1.641 -1.023 1.00 0.00 C ATOM 312 O LEU A 24 8.435 1.628 -1.711 1.00 0.00 O ATOM 313 CB LEU A 24 8.636 -0.499 0.124 1.00 0.00 C ATOM 314 CG LEU A 24 8.840 -1.566 1.201 1.00 0.00 C ATOM 315 CD1 LEU A 24 7.737 -2.625 1.139 1.00 0.00 C ATOM 316 CD2 LEU A 24 10.235 -2.186 1.103 1.00 0.00 C ATOM 0 H LEU A 24 8.586 1.976 1.466 1.00 0.00 H new ATOM 0 HA LEU A 24 10.602 0.254 0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.619 -0.116 0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.717 -0.976 -0.853 1.00 0.00 H new ATOM 0 HG LEU A 24 8.770 -1.084 2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.906 -3.372 1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.768 -2.151 1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.751 -3.108 0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 24 10.353 -2.941 1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.359 -2.650 0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.988 -1.409 1.234 1.00 0.00 H new ATOM 328 N PRO A 25 10.513 2.469 -1.231 1.00 0.00 N ATOM 329 CA PRO A 25 10.510 3.428 -2.322 1.00 0.00 C ATOM 330 C PRO A 25 10.745 2.733 -3.664 1.00 0.00 C ATOM 331 O PRO A 25 10.416 3.279 -4.716 1.00 0.00 O ATOM 332 CB PRO A 25 11.601 4.427 -1.971 1.00 0.00 C ATOM 333 CG PRO A 25 12.483 3.737 -0.943 1.00 0.00 C ATOM 334 CD PRO A 25 11.737 2.513 -0.436 1.00 0.00 C ATOM 0 HA PRO A 25 9.550 3.931 -2.437 1.00 0.00 H new ATOM 0 HB2 PRO A 25 12.175 4.705 -2.855 1.00 0.00 H new ATOM 0 HB3 PRO A 25 11.175 5.345 -1.567 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.434 3.447 -1.389 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.711 4.414 -0.119 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.328 1.606 -0.568 1.00 0.00 H new ATOM 0 HD3 PRO A 25 11.515 2.597 0.628 1.00 0.00 H new ATOM 342 N ASP A 26 11.313 1.538 -3.584 1.00 0.00 N ATOM 343 CA ASP A 26 11.596 0.763 -4.780 1.00 0.00 C ATOM 344 C ASP A 26 10.296 0.537 -5.556 1.00 0.00 C ATOM 345 O ASP A 26 10.268 0.670 -6.778 1.00 0.00 O ATOM 346 CB ASP A 26 12.178 -0.606 -4.423 1.00 0.00 C ATOM 347 CG ASP A 26 13.669 -0.606 -4.082 1.00 0.00 C ATOM 348 OD1 ASP A 26 14.216 0.507 -3.927 1.00 0.00 O ATOM 349 OD2 ASP A 26 14.229 -1.719 -3.983 1.00 0.00 O ATOM 0 H ASP A 26 11.585 1.088 -2.710 1.00 0.00 H new ATOM 0 HA ASP A 26 12.319 1.318 -5.379 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.626 -1.008 -3.573 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.012 -1.284 -5.260 1.00 0.00 H new ATOM 354 N LEU A 27 9.253 0.199 -4.813 1.00 0.00 N ATOM 355 CA LEU A 27 7.953 -0.047 -5.415 1.00 0.00 C ATOM 356 C LEU A 27 7.320 1.288 -5.813 1.00 0.00 C ATOM 357 O LEU A 27 7.791 2.348 -5.406 1.00 0.00 O ATOM 358 CB LEU A 27 7.081 -0.889 -4.482 1.00 0.00 C ATOM 359 CG LEU A 27 7.647 -2.253 -4.084 1.00 0.00 C ATOM 360 CD1 LEU A 27 7.003 -2.757 -2.791 1.00 0.00 C ATOM 361 CD2 LEU A 27 7.503 -3.261 -5.226 1.00 0.00 C ATOM 0 H LEU A 27 9.281 0.090 -3.799 1.00 0.00 H new ATOM 0 HA LEU A 27 8.060 -0.634 -6.327 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.897 -0.315 -3.574 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.115 -1.045 -4.962 1.00 0.00 H new ATOM 0 HG LEU A 27 8.713 -2.137 -3.890 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.423 -3.728 -2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.200 -2.049 -1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.927 -2.854 -2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.913 -4.222 -4.917 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.449 -3.380 -5.476 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.044 -2.900 -6.100 1.00 0.00 H new ATOM 373 N GLY A 28 6.260 1.191 -6.602 1.00 0.00 N ATOM 374 CA GLY A 28 5.557 2.378 -7.059 1.00 0.00 C ATOM 375 C GLY A 28 4.284 2.609 -6.242 1.00 0.00 C ATOM 376 O GLY A 28 3.614 1.657 -5.846 1.00 0.00 O ATOM 0 H GLY A 28 5.871 0.309 -6.936 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.210 3.247 -6.975 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.302 2.271 -8.113 1.00 0.00 H new ATOM 380 N GLU A 29 3.988 3.881 -6.014 1.00 0.00 N ATOM 381 CA GLU A 29 2.808 4.249 -5.252 1.00 0.00 C ATOM 382 C GLU A 29 1.584 3.488 -5.766 1.00 0.00 C ATOM 383 O GLU A 29 0.864 2.865 -4.987 1.00 0.00 O ATOM 384 CB GLU A 29 2.573 5.760 -5.300 1.00 0.00 C ATOM 385 CG GLU A 29 3.299 6.465 -4.153 1.00 0.00 C ATOM 386 CD GLU A 29 2.878 7.933 -4.057 1.00 0.00 C ATOM 387 OE1 GLU A 29 2.763 8.562 -5.131 1.00 0.00 O ATOM 388 OE2 GLU A 29 2.679 8.393 -2.911 1.00 0.00 O ATOM 0 H GLU A 29 4.546 4.669 -6.344 1.00 0.00 H new ATOM 0 HA GLU A 29 2.972 3.972 -4.211 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.922 6.156 -6.254 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.505 5.967 -5.241 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.080 5.958 -3.213 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.376 6.401 -4.306 1.00 0.00 H new ATOM 395 N GLY A 30 1.387 3.562 -7.074 1.00 0.00 N ATOM 396 CA GLY A 30 0.264 2.888 -7.701 1.00 0.00 C ATOM 397 C GLY A 30 0.024 1.516 -7.067 1.00 0.00 C ATOM 398 O GLY A 30 -1.115 1.151 -6.781 1.00 0.00 O ATOM 0 H GLY A 30 1.987 4.079 -7.717 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.633 3.500 -7.603 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.455 2.771 -8.768 1.00 0.00 H new ATOM 402 N PHE A 31 1.116 0.794 -6.865 1.00 0.00 N ATOM 403 CA PHE A 31 1.039 -0.529 -6.269 1.00 0.00 C ATOM 404 C PHE A 31 0.877 -0.438 -4.751 1.00 0.00 C ATOM 405 O PHE A 31 0.224 -1.284 -4.141 1.00 0.00 O ATOM 406 CB PHE A 31 2.355 -1.241 -6.588 1.00 0.00 C ATOM 407 CG PHE A 31 2.610 -2.488 -5.740 1.00 0.00 C ATOM 408 CD1 PHE A 31 2.117 -3.692 -6.137 1.00 0.00 C ATOM 409 CD2 PHE A 31 3.328 -2.394 -4.589 1.00 0.00 C ATOM 410 CE1 PHE A 31 2.353 -4.850 -5.350 1.00 0.00 C ATOM 411 CE2 PHE A 31 3.564 -3.552 -3.802 1.00 0.00 C ATOM 412 CZ PHE A 31 3.071 -4.756 -4.199 1.00 0.00 C ATOM 0 H PHE A 31 2.059 1.100 -7.103 1.00 0.00 H new ATOM 0 HA PHE A 31 0.179 -1.067 -6.667 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.357 -1.524 -7.641 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.179 -0.542 -6.444 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.546 -3.767 -7.051 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.719 -1.438 -4.273 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.962 -5.806 -5.666 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.135 -3.477 -2.888 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.250 -5.637 -3.600 1.00 0.00 H new ATOM 422 N ILE A 32 1.482 0.595 -4.184 1.00 0.00 N ATOM 423 CA ILE A 32 1.413 0.807 -2.748 1.00 0.00 C ATOM 424 C ILE A 32 -0.019 1.183 -2.361 1.00 0.00 C ATOM 425 O ILE A 32 -0.507 0.776 -1.308 1.00 0.00 O ATOM 426 CB ILE A 32 2.459 1.833 -2.307 1.00 0.00 C ATOM 427 CG1 ILE A 32 3.870 1.373 -2.680 1.00 0.00 C ATOM 428 CG2 ILE A 32 2.332 2.139 -0.813 1.00 0.00 C ATOM 429 CD1 ILE A 32 4.861 2.538 -2.617 1.00 0.00 C ATOM 0 H ILE A 32 2.022 1.295 -4.693 1.00 0.00 H new ATOM 0 HA ILE A 32 1.657 -0.112 -2.215 1.00 0.00 H new ATOM 0 HB ILE A 32 2.271 2.763 -2.843 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.190 0.582 -2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.865 0.949 -3.684 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.087 2.871 -0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.340 2.541 -0.607 1.00 0.00 H new ATOM 0 HG23 ILE A 32 2.478 1.223 -0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.856 2.184 -2.886 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.552 3.317 -3.314 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.882 2.944 -1.606 1.00 0.00 H new ATOM 441 N LEU A 33 -0.651 1.955 -3.233 1.00 0.00 N ATOM 442 CA LEU A 33 -2.016 2.390 -2.995 1.00 0.00 C ATOM 443 C LEU A 33 -2.953 1.182 -3.074 1.00 0.00 C ATOM 444 O LEU A 33 -3.738 0.940 -2.159 1.00 0.00 O ATOM 445 CB LEU A 33 -2.392 3.523 -3.952 1.00 0.00 C ATOM 446 CG LEU A 33 -3.872 3.907 -3.988 1.00 0.00 C ATOM 447 CD1 LEU A 33 -4.659 2.970 -4.907 1.00 0.00 C ATOM 448 CD2 LEU A 33 -4.462 3.954 -2.577 1.00 0.00 C ATOM 0 H LEU A 33 -0.242 2.290 -4.105 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.114 2.805 -1.992 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.814 4.407 -3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.086 3.238 -4.959 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.954 4.911 -4.404 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.708 3.265 -4.915 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.258 3.031 -5.919 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.572 1.946 -4.543 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.515 4.229 -2.632 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.367 2.974 -2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.924 4.693 -1.982 1.00 0.00 H new ATOM 460 N ALA A 34 -2.839 0.457 -4.177 1.00 0.00 N ATOM 461 CA ALA A 34 -3.666 -0.719 -4.388 1.00 0.00 C ATOM 462 C ALA A 34 -3.590 -1.619 -3.153 1.00 0.00 C ATOM 463 O ALA A 34 -4.617 -1.995 -2.590 1.00 0.00 O ATOM 464 CB ALA A 34 -3.216 -1.438 -5.661 1.00 0.00 C ATOM 0 H ALA A 34 -2.187 0.661 -4.934 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.709 -0.435 -4.525 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.836 -2.320 -5.819 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.317 -0.766 -6.513 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.174 -1.741 -5.559 1.00 0.00 H new ATOM 470 N CYS A 35 -2.363 -1.938 -2.767 1.00 0.00 N ATOM 471 CA CYS A 35 -2.139 -2.786 -1.609 1.00 0.00 C ATOM 472 C CYS A 35 -2.920 -2.203 -0.429 1.00 0.00 C ATOM 473 O CYS A 35 -3.677 -2.914 0.230 1.00 0.00 O ATOM 474 CB CYS A 35 -0.649 -2.930 -1.292 1.00 0.00 C ATOM 475 SG CYS A 35 0.145 -4.040 -2.511 1.00 0.00 S ATOM 0 H CYS A 35 -1.513 -1.624 -3.236 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.497 -3.794 -1.819 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.168 -1.952 -1.311 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.520 -3.329 -0.286 1.00 0.00 H new ATOM 0 HG CYS A 35 1.364 -3.645 -2.728 1.00 0.00 H new ATOM 481 N LEU A 36 -2.707 -0.916 -0.198 1.00 0.00 N ATOM 482 CA LEU A 36 -3.381 -0.230 0.891 1.00 0.00 C ATOM 483 C LEU A 36 -4.888 -0.479 0.790 1.00 0.00 C ATOM 484 O LEU A 36 -5.488 -1.052 1.698 1.00 0.00 O ATOM 485 CB LEU A 36 -3.003 1.253 0.906 1.00 0.00 C ATOM 486 CG LEU A 36 -1.711 1.608 1.646 1.00 0.00 C ATOM 487 CD1 LEU A 36 -1.227 3.008 1.263 1.00 0.00 C ATOM 488 CD2 LEU A 36 -1.886 1.455 3.158 1.00 0.00 C ATOM 0 H LEU A 36 -2.077 -0.330 -0.746 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.055 -0.628 1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.914 1.595 -0.125 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.822 1.812 1.358 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.937 0.905 1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.308 3.235 1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.037 3.047 0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.991 3.741 1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.954 1.713 3.660 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.679 2.119 3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.150 0.423 3.391 1.00 0.00 H new ATOM 500 N GLU A 37 -5.455 -0.036 -0.322 1.00 0.00 N ATOM 501 CA GLU A 37 -6.880 -0.203 -0.553 1.00 0.00 C ATOM 502 C GLU A 37 -7.314 -1.624 -0.185 1.00 0.00 C ATOM 503 O GLU A 37 -8.305 -1.811 0.519 1.00 0.00 O ATOM 504 CB GLU A 37 -7.242 0.123 -2.003 1.00 0.00 C ATOM 505 CG GLU A 37 -7.460 1.625 -2.190 1.00 0.00 C ATOM 506 CD GLU A 37 -8.823 1.907 -2.825 1.00 0.00 C ATOM 507 OE1 GLU A 37 -9.769 1.161 -2.492 1.00 0.00 O ATOM 508 OE2 GLU A 37 -8.889 2.863 -3.628 1.00 0.00 O ATOM 0 H GLU A 37 -4.954 0.438 -1.073 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.417 0.497 0.087 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.446 -0.218 -2.665 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.145 -0.417 -2.286 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.393 2.129 -1.226 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.670 2.035 -2.819 1.00 0.00 H new ATOM 515 N TYR A 38 -6.551 -2.588 -0.679 1.00 0.00 N ATOM 516 CA TYR A 38 -6.844 -3.985 -0.411 1.00 0.00 C ATOM 517 C TYR A 38 -6.678 -4.305 1.076 1.00 0.00 C ATOM 518 O TYR A 38 -7.508 -4.999 1.662 1.00 0.00 O ATOM 519 CB TYR A 38 -5.819 -4.792 -1.211 1.00 0.00 C ATOM 520 CG TYR A 38 -6.026 -6.306 -1.139 1.00 0.00 C ATOM 521 CD1 TYR A 38 -5.630 -7.004 -0.016 1.00 0.00 C ATOM 522 CD2 TYR A 38 -6.608 -6.974 -2.197 1.00 0.00 C ATOM 523 CE1 TYR A 38 -5.825 -8.430 0.051 1.00 0.00 C ATOM 524 CE2 TYR A 38 -6.803 -8.399 -2.130 1.00 0.00 C ATOM 525 CZ TYR A 38 -6.402 -9.057 -1.009 1.00 0.00 C ATOM 526 OH TYR A 38 -6.586 -10.403 -0.945 1.00 0.00 O ATOM 0 H TYR A 38 -5.730 -2.429 -1.263 1.00 0.00 H new ATOM 0 HA TYR A 38 -7.871 -4.221 -0.688 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.860 -4.479 -2.254 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.820 -4.554 -0.846 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.174 -6.482 0.812 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.917 -6.428 -3.076 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.520 -8.989 0.924 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.257 -8.933 -2.951 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.009 -10.715 -1.772 1.00 0.00 H new ATOM 536 N TYR A 39 -5.601 -3.784 1.644 1.00 0.00 N ATOM 537 CA TYR A 39 -5.315 -4.005 3.052 1.00 0.00 C ATOM 538 C TYR A 39 -6.005 -2.953 3.923 1.00 0.00 C ATOM 539 O TYR A 39 -5.413 -2.445 4.875 1.00 0.00 O ATOM 540 CB TYR A 39 -3.800 -3.861 3.203 1.00 0.00 C ATOM 541 CG TYR A 39 -3.003 -5.037 2.634 1.00 0.00 C ATOM 542 CD1 TYR A 39 -3.209 -6.311 3.123 1.00 0.00 C ATOM 543 CD2 TYR A 39 -2.079 -4.824 1.631 1.00 0.00 C ATOM 544 CE1 TYR A 39 -2.460 -7.418 2.587 1.00 0.00 C ATOM 545 CE2 TYR A 39 -1.330 -5.931 1.096 1.00 0.00 C ATOM 546 CZ TYR A 39 -1.557 -7.173 1.600 1.00 0.00 C ATOM 547 OH TYR A 39 -0.849 -8.219 1.094 1.00 0.00 O ATOM 0 H TYR A 39 -4.915 -3.209 1.155 1.00 0.00 H new ATOM 0 HA TYR A 39 -5.675 -4.984 3.367 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -3.481 -2.945 2.706 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.560 -3.750 4.260 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.932 -6.478 3.908 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.918 -3.827 1.248 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.612 -8.420 2.960 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -0.604 -5.778 0.311 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.902 -8.207 0.115 1.00 0.00 H new ATOM 557 N HIS A 40 -7.246 -2.656 3.566 1.00 0.00 N ATOM 558 CA HIS A 40 -8.022 -1.674 4.303 1.00 0.00 C ATOM 559 C HIS A 40 -7.124 -0.499 4.694 1.00 0.00 C ATOM 560 O HIS A 40 -7.024 -0.154 5.871 1.00 0.00 O ATOM 561 CB HIS A 40 -8.712 -2.319 5.507 1.00 0.00 C ATOM 562 CG HIS A 40 -9.932 -3.135 5.151 1.00 0.00 C ATOM 563 ND1 HIS A 40 -11.183 -2.573 4.968 1.00 0.00 N ATOM 564 CD2 HIS A 40 -10.078 -4.476 4.946 1.00 0.00 C ATOM 565 CE1 HIS A 40 -12.036 -3.540 4.667 1.00 0.00 C ATOM 566 NE2 HIS A 40 -11.350 -4.719 4.655 1.00 0.00 N ATOM 0 H HIS A 40 -7.733 -3.079 2.776 1.00 0.00 H new ATOM 0 HA HIS A 40 -8.817 -1.283 3.668 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -7.997 -2.960 6.023 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -9.003 -1.537 6.208 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -9.292 -5.214 5.010 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -13.090 -3.417 4.466 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -11.749 -5.636 4.455 1.00 0.00 H new ATOM 574 N TYR A 41 -6.493 0.084 3.685 1.00 0.00 N ATOM 575 CA TYR A 41 -5.606 1.213 3.909 1.00 0.00 C ATOM 576 C TYR A 41 -4.706 0.971 5.122 1.00 0.00 C ATOM 577 O TYR A 41 -4.579 1.836 5.988 1.00 0.00 O ATOM 578 CB TYR A 41 -6.513 2.412 4.193 1.00 0.00 C ATOM 579 CG TYR A 41 -7.335 2.869 2.986 1.00 0.00 C ATOM 580 CD1 TYR A 41 -6.698 3.323 1.849 1.00 0.00 C ATOM 581 CD2 TYR A 41 -8.714 2.829 3.035 1.00 0.00 C ATOM 582 CE1 TYR A 41 -7.472 3.753 0.713 1.00 0.00 C ATOM 583 CE2 TYR A 41 -9.488 3.260 1.899 1.00 0.00 C ATOM 584 CZ TYR A 41 -8.828 3.701 0.795 1.00 0.00 C ATOM 585 OH TYR A 41 -9.559 4.108 -0.278 1.00 0.00 O ATOM 0 H TYR A 41 -6.578 -0.204 2.710 1.00 0.00 H new ATOM 0 HA TYR A 41 -4.961 1.372 3.045 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.192 2.157 5.007 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.900 3.244 4.539 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.619 3.356 1.811 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -9.213 2.475 3.925 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -6.986 4.109 -0.184 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.567 3.233 1.924 1.00 0.00 H new ATOM 0 HH TYR A 41 -10.514 4.015 -0.078 1.00 0.00 H new ATOM 595 N ASP A 42 -4.103 -0.209 5.146 1.00 0.00 N ATOM 596 CA ASP A 42 -3.218 -0.575 6.239 1.00 0.00 C ATOM 597 C ASP A 42 -1.780 -0.650 5.721 1.00 0.00 C ATOM 598 O ASP A 42 -1.479 -1.439 4.827 1.00 0.00 O ATOM 599 CB ASP A 42 -3.587 -1.945 6.811 1.00 0.00 C ATOM 600 CG ASP A 42 -4.984 -2.033 7.429 1.00 0.00 C ATOM 601 OD1 ASP A 42 -5.365 -1.058 8.112 1.00 0.00 O ATOM 602 OD2 ASP A 42 -5.639 -3.073 7.204 1.00 0.00 O ATOM 0 H ASP A 42 -4.210 -0.924 4.426 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.315 0.179 7.020 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.511 -2.687 6.016 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.853 -2.215 7.570 1.00 0.00 H new ATOM 607 N PRO A 43 -0.908 0.204 6.321 1.00 0.00 N ATOM 608 CA PRO A 43 0.491 0.241 5.931 1.00 0.00 C ATOM 609 C PRO A 43 1.246 -0.971 6.479 1.00 0.00 C ATOM 610 O PRO A 43 1.963 -1.646 5.742 1.00 0.00 O ATOM 611 CB PRO A 43 1.015 1.562 6.471 1.00 0.00 C ATOM 612 CG PRO A 43 0.024 1.999 7.538 1.00 0.00 C ATOM 613 CD PRO A 43 -1.229 1.152 7.384 1.00 0.00 C ATOM 0 HA PRO A 43 0.628 0.185 4.851 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.014 1.444 6.891 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.089 2.306 5.678 1.00 0.00 H new ATOM 0 HG2 PRO A 43 0.452 1.871 8.532 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -0.214 3.057 7.428 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.475 0.637 8.313 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.091 1.765 7.121 1.00 0.00 H new ATOM 621 N GLU A 44 1.060 -1.210 7.769 1.00 0.00 N ATOM 622 CA GLU A 44 1.715 -2.329 8.425 1.00 0.00 C ATOM 623 C GLU A 44 1.465 -3.622 7.645 1.00 0.00 C ATOM 624 O GLU A 44 2.401 -4.361 7.346 1.00 0.00 O ATOM 625 CB GLU A 44 1.247 -2.465 9.875 1.00 0.00 C ATOM 626 CG GLU A 44 2.092 -1.595 10.808 1.00 0.00 C ATOM 627 CD GLU A 44 1.541 -0.169 10.876 1.00 0.00 C ATOM 628 OE1 GLU A 44 0.556 0.024 11.621 1.00 0.00 O ATOM 629 OE2 GLU A 44 2.118 0.696 10.181 1.00 0.00 O ATOM 0 H GLU A 44 0.465 -0.648 8.377 1.00 0.00 H new ATOM 0 HA GLU A 44 2.788 -2.138 8.440 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.199 -2.175 9.951 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.313 -3.508 10.186 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.104 -2.032 11.807 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.124 -1.574 10.456 1.00 0.00 H new ATOM 636 N GLN A 45 0.197 -3.854 7.338 1.00 0.00 N ATOM 637 CA GLN A 45 -0.188 -5.045 6.599 1.00 0.00 C ATOM 638 C GLN A 45 0.647 -5.169 5.323 1.00 0.00 C ATOM 639 O GLN A 45 1.387 -6.137 5.153 1.00 0.00 O ATOM 640 CB GLN A 45 -1.683 -5.031 6.278 1.00 0.00 C ATOM 641 CG GLN A 45 -2.518 -5.241 7.542 1.00 0.00 C ATOM 642 CD GLN A 45 -3.943 -5.677 7.193 1.00 0.00 C ATOM 643 OE1 GLN A 45 -4.205 -6.255 6.151 1.00 0.00 O ATOM 644 NE2 GLN A 45 -4.845 -5.368 8.119 1.00 0.00 N ATOM 0 H GLN A 45 -0.577 -3.238 7.587 1.00 0.00 H new ATOM 0 HA GLN A 45 0.007 -5.917 7.224 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -1.950 -4.081 5.815 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.910 -5.813 5.554 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.047 -5.996 8.172 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.548 -4.317 8.120 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.558 -4.883 8.969 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.825 -5.616 7.979 1.00 0.00 H new ATOM 653 N VAL A 46 0.499 -4.177 4.458 1.00 0.00 N ATOM 654 CA VAL A 46 1.229 -4.163 3.202 1.00 0.00 C ATOM 655 C VAL A 46 2.660 -4.649 3.444 1.00 0.00 C ATOM 656 O VAL A 46 3.082 -5.655 2.875 1.00 0.00 O ATOM 657 CB VAL A 46 1.170 -2.768 2.577 1.00 0.00 C ATOM 658 CG1 VAL A 46 1.902 -2.737 1.234 1.00 0.00 C ATOM 659 CG2 VAL A 46 -0.278 -2.297 2.423 1.00 0.00 C ATOM 0 H VAL A 46 -0.116 -3.376 4.602 1.00 0.00 H new ATOM 0 HA VAL A 46 0.770 -4.845 2.486 1.00 0.00 H new ATOM 0 HB VAL A 46 1.677 -2.078 3.251 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.845 -1.734 0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.947 -3.009 1.383 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.437 -3.446 0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.292 -1.303 1.976 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.820 -2.991 1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.755 -2.261 3.402 1.00 0.00 H new ATOM 669 N ILE A 47 3.366 -3.913 4.288 1.00 0.00 N ATOM 670 CA ILE A 47 4.740 -4.256 4.612 1.00 0.00 C ATOM 671 C ILE A 47 4.787 -5.678 5.175 1.00 0.00 C ATOM 672 O ILE A 47 5.437 -6.554 4.605 1.00 0.00 O ATOM 673 CB ILE A 47 5.350 -3.206 5.544 1.00 0.00 C ATOM 674 CG1 ILE A 47 5.425 -1.841 4.857 1.00 0.00 C ATOM 675 CG2 ILE A 47 6.715 -3.661 6.064 1.00 0.00 C ATOM 676 CD1 ILE A 47 5.758 -0.738 5.864 1.00 0.00 C ATOM 0 H ILE A 47 3.012 -3.080 4.758 1.00 0.00 H new ATOM 0 HA ILE A 47 5.356 -4.247 3.713 1.00 0.00 H new ATOM 0 HB ILE A 47 4.696 -3.096 6.409 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.183 -1.865 4.074 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.474 -1.621 4.372 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.126 -2.897 6.724 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.602 -4.594 6.616 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.391 -3.817 5.223 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.805 0.222 5.350 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.985 -0.701 6.632 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.721 -0.948 6.329 1.00 0.00 H new ATOM 688 N ASN A 48 4.090 -5.864 6.286 1.00 0.00 N ATOM 689 CA ASN A 48 4.043 -7.165 6.932 1.00 0.00 C ATOM 690 C ASN A 48 3.929 -8.255 5.865 1.00 0.00 C ATOM 691 O ASN A 48 4.721 -9.196 5.846 1.00 0.00 O ATOM 692 CB ASN A 48 2.830 -7.278 7.856 1.00 0.00 C ATOM 693 CG ASN A 48 3.233 -7.081 9.318 1.00 0.00 C ATOM 694 OD1 ASN A 48 3.793 -7.956 9.959 1.00 0.00 O ATOM 695 ND2 ASN A 48 2.920 -5.885 9.809 1.00 0.00 N ATOM 0 H ASN A 48 3.553 -5.135 6.756 1.00 0.00 H new ATOM 0 HA ASN A 48 4.954 -7.284 7.518 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.085 -6.532 7.577 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.364 -8.256 7.732 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.149 -5.655 10.776 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.451 -5.198 9.218 1.00 0.00 H new ATOM 702 N ASN A 49 2.936 -8.092 5.002 1.00 0.00 N ATOM 703 CA ASN A 49 2.708 -9.051 3.934 1.00 0.00 C ATOM 704 C ASN A 49 3.970 -9.163 3.076 1.00 0.00 C ATOM 705 O ASN A 49 4.597 -10.220 3.024 1.00 0.00 O ATOM 706 CB ASN A 49 1.558 -8.603 3.029 1.00 0.00 C ATOM 707 CG ASN A 49 0.209 -9.055 3.591 1.00 0.00 C ATOM 708 OD1 ASN A 49 -0.187 -10.203 3.476 1.00 0.00 O ATOM 709 ND2 ASN A 49 -0.471 -8.091 4.204 1.00 0.00 N ATOM 0 H ASN A 49 2.281 -7.311 5.021 1.00 0.00 H new ATOM 0 HA ASN A 49 2.457 -10.009 4.389 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.570 -7.517 2.931 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.696 -9.015 2.029 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.383 -8.292 4.614 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -0.080 -7.151 4.264 1.00 0.00 H new ATOM 716 N ILE A 50 4.304 -8.058 2.425 1.00 0.00 N ATOM 717 CA ILE A 50 5.480 -8.019 1.572 1.00 0.00 C ATOM 718 C ILE A 50 6.646 -8.704 2.288 1.00 0.00 C ATOM 719 O ILE A 50 7.437 -9.407 1.661 1.00 0.00 O ATOM 720 CB ILE A 50 5.780 -6.583 1.140 1.00 0.00 C ATOM 721 CG1 ILE A 50 4.629 -6.006 0.315 1.00 0.00 C ATOM 722 CG2 ILE A 50 7.115 -6.502 0.397 1.00 0.00 C ATOM 723 CD1 ILE A 50 4.582 -4.481 0.429 1.00 0.00 C ATOM 0 H ILE A 50 3.781 -7.183 2.471 1.00 0.00 H new ATOM 0 HA ILE A 50 5.302 -8.573 0.650 1.00 0.00 H new ATOM 0 HB ILE A 50 5.872 -5.969 2.036 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.747 -6.292 -0.730 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.684 -6.429 0.657 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.305 -5.470 0.101 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.917 -6.845 1.051 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.076 -7.133 -0.491 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.754 -4.097 -0.167 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.440 -4.198 1.472 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.519 -4.060 0.064 1.00 0.00 H new ATOM 735 N LEU A 51 6.717 -8.473 3.591 1.00 0.00 N ATOM 736 CA LEU A 51 7.774 -9.059 4.398 1.00 0.00 C ATOM 737 C LEU A 51 7.507 -10.555 4.571 1.00 0.00 C ATOM 738 O LEU A 51 8.430 -11.366 4.503 1.00 0.00 O ATOM 739 CB LEU A 51 7.919 -8.303 5.720 1.00 0.00 C ATOM 740 CG LEU A 51 9.032 -7.254 5.774 1.00 0.00 C ATOM 741 CD1 LEU A 51 8.958 -6.442 7.069 1.00 0.00 C ATOM 742 CD2 LEU A 51 10.405 -7.901 5.580 1.00 0.00 C ATOM 0 H LEU A 51 6.060 -7.888 4.108 1.00 0.00 H new ATOM 0 HA LEU A 51 8.736 -8.963 3.895 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.972 -7.811 5.940 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.093 -9.029 6.514 1.00 0.00 H new ATOM 0 HG LEU A 51 8.885 -6.557 4.949 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.760 -5.704 7.082 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.996 -5.933 7.125 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.066 -7.110 7.924 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.178 -7.134 5.623 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.577 -8.633 6.369 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.440 -8.397 4.610 1.00 0.00 H new ATOM 754 N GLU A 52 6.241 -10.877 4.792 1.00 0.00 N ATOM 755 CA GLU A 52 5.842 -12.262 4.976 1.00 0.00 C ATOM 756 C GLU A 52 5.480 -12.893 3.630 1.00 0.00 C ATOM 757 O GLU A 52 4.778 -13.902 3.582 1.00 0.00 O ATOM 758 CB GLU A 52 4.678 -12.370 5.963 1.00 0.00 C ATOM 759 CG GLU A 52 5.058 -11.789 7.326 1.00 0.00 C ATOM 760 CD GLU A 52 5.138 -12.888 8.388 1.00 0.00 C ATOM 761 OE1 GLU A 52 5.872 -13.868 8.137 1.00 0.00 O ATOM 762 OE2 GLU A 52 4.463 -12.723 9.427 1.00 0.00 O ATOM 0 H GLU A 52 5.478 -10.202 4.848 1.00 0.00 H new ATOM 0 HA GLU A 52 6.685 -12.810 5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.811 -11.841 5.567 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.389 -13.415 6.077 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.018 -11.279 7.253 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.322 -11.042 7.625 1.00 0.00 H new ATOM 769 N GLU A 53 5.977 -12.273 2.569 1.00 0.00 N ATOM 770 CA GLU A 53 5.715 -12.762 1.226 1.00 0.00 C ATOM 771 C GLU A 53 4.271 -13.255 1.113 1.00 0.00 C ATOM 772 O GLU A 53 3.994 -14.218 0.400 1.00 0.00 O ATOM 773 CB GLU A 53 6.703 -13.865 0.842 1.00 0.00 C ATOM 774 CG GLU A 53 7.749 -13.345 -0.146 1.00 0.00 C ATOM 775 CD GLU A 53 9.083 -13.081 0.557 1.00 0.00 C ATOM 776 OE1 GLU A 53 9.643 -14.060 1.096 1.00 0.00 O ATOM 777 OE2 GLU A 53 9.511 -11.907 0.539 1.00 0.00 O ATOM 0 H GLU A 53 6.559 -11.437 2.613 1.00 0.00 H new ATOM 0 HA GLU A 53 5.852 -11.937 0.527 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.198 -14.242 1.737 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.164 -14.703 0.399 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.893 -14.072 -0.945 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.391 -12.427 -0.611 1.00 0.00 H new ATOM 784 N ARG A 54 3.388 -12.572 1.827 1.00 0.00 N ATOM 785 CA ARG A 54 1.980 -12.929 1.816 1.00 0.00 C ATOM 786 C ARG A 54 1.205 -12.002 0.877 1.00 0.00 C ATOM 787 O ARG A 54 -0.002 -11.824 1.032 1.00 0.00 O ATOM 788 CB ARG A 54 1.378 -12.840 3.220 1.00 0.00 C ATOM 789 CG ARG A 54 2.023 -13.862 4.158 1.00 0.00 C ATOM 790 CD ARG A 54 0.971 -14.535 5.042 1.00 0.00 C ATOM 791 NE ARG A 54 -0.056 -15.187 4.199 1.00 0.00 N ATOM 792 CZ ARG A 54 0.067 -16.415 3.679 1.00 0.00 C ATOM 793 NH1 ARG A 54 1.175 -17.133 3.911 1.00 0.00 N ATOM 794 NH2 ARG A 54 -0.916 -16.926 2.926 1.00 0.00 N ATOM 0 H ARG A 54 3.621 -11.773 2.417 1.00 0.00 H new ATOM 0 HA ARG A 54 1.901 -13.958 1.464 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.520 -11.835 3.618 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.303 -13.014 3.171 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.549 -14.617 3.573 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.767 -13.368 4.783 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.445 -15.274 5.688 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.504 -13.796 5.693 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.912 -14.668 4.002 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.924 -16.744 4.484 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.269 -18.068 3.515 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.759 -16.380 2.748 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.822 -17.861 2.530 1.00 0.00 H new ATOM 808 N LEU A 55 1.931 -11.436 -0.076 1.00 0.00 N ATOM 809 CA LEU A 55 1.328 -10.532 -1.040 1.00 0.00 C ATOM 810 C LEU A 55 0.270 -11.287 -1.847 1.00 0.00 C ATOM 811 O LEU A 55 0.577 -12.282 -2.503 1.00 0.00 O ATOM 812 CB LEU A 55 2.405 -9.872 -1.903 1.00 0.00 C ATOM 813 CG LEU A 55 3.098 -8.652 -1.293 1.00 0.00 C ATOM 814 CD1 LEU A 55 4.197 -8.127 -2.219 1.00 0.00 C ATOM 815 CD2 LEU A 55 2.083 -7.566 -0.935 1.00 0.00 C ATOM 0 H LEU A 55 2.932 -11.586 -0.201 1.00 0.00 H new ATOM 0 HA LEU A 55 0.818 -9.715 -0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.165 -10.618 -2.135 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.952 -9.573 -2.849 1.00 0.00 H new ATOM 0 HG LEU A 55 3.579 -8.961 -0.365 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.674 -7.260 -1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.941 -8.907 -2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.760 -7.839 -3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.603 -6.710 -0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.553 -7.253 -1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.369 -7.960 -0.212 1.00 0.00 H new ATOM 827 N ALA A 56 -0.954 -10.785 -1.774 1.00 0.00 N ATOM 828 CA ALA A 56 -2.059 -11.400 -2.490 1.00 0.00 C ATOM 829 C ALA A 56 -1.634 -11.678 -3.933 1.00 0.00 C ATOM 830 O ALA A 56 -0.712 -11.046 -4.445 1.00 0.00 O ATOM 831 CB ALA A 56 -3.288 -10.492 -2.409 1.00 0.00 C ATOM 0 H ALA A 56 -1.205 -9.959 -1.230 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.327 -12.354 -2.036 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.117 -10.953 -2.946 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.567 -10.349 -1.365 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.057 -9.526 -2.858 1.00 0.00 H new ATOM 837 N PRO A 57 -2.346 -12.650 -4.564 1.00 0.00 N ATOM 838 CA PRO A 57 -2.052 -13.020 -5.938 1.00 0.00 C ATOM 839 C PRO A 57 -2.568 -11.961 -6.914 1.00 0.00 C ATOM 840 O PRO A 57 -2.299 -12.031 -8.112 1.00 0.00 O ATOM 841 CB PRO A 57 -2.711 -14.376 -6.131 1.00 0.00 C ATOM 842 CG PRO A 57 -3.736 -14.503 -5.015 1.00 0.00 C ATOM 843 CD PRO A 57 -3.445 -13.420 -3.989 1.00 0.00 C ATOM 0 HA PRO A 57 -0.982 -13.080 -6.137 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.188 -14.443 -7.109 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.976 -15.179 -6.079 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.746 -14.393 -5.410 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.679 -15.490 -4.555 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.320 -12.793 -3.816 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.166 -13.850 -3.027 1.00 0.00 H new ATOM 851 N THR A 58 -3.301 -11.003 -6.364 1.00 0.00 N ATOM 852 CA THR A 58 -3.858 -9.931 -7.171 1.00 0.00 C ATOM 853 C THR A 58 -2.938 -8.709 -7.141 1.00 0.00 C ATOM 854 O THR A 58 -2.883 -7.945 -8.104 1.00 0.00 O ATOM 855 CB THR A 58 -5.271 -9.640 -6.661 1.00 0.00 C ATOM 856 OG1 THR A 58 -6.067 -10.673 -7.236 1.00 0.00 O ATOM 857 CG2 THR A 58 -5.852 -8.352 -7.248 1.00 0.00 C ATOM 0 H THR A 58 -3.522 -10.947 -5.370 1.00 0.00 H new ATOM 0 HA THR A 58 -3.929 -10.221 -8.219 1.00 0.00 H new ATOM 0 HB THR A 58 -5.257 -9.569 -5.573 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.999 -10.562 -6.956 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.856 -8.193 -6.854 1.00 0.00 H new ATOM 0 HG22 THR A 58 -5.217 -7.509 -6.975 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.898 -8.435 -8.334 1.00 0.00 H new ATOM 865 N LEU A 59 -2.239 -8.561 -6.025 1.00 0.00 N ATOM 866 CA LEU A 59 -1.324 -7.445 -5.857 1.00 0.00 C ATOM 867 C LEU A 59 0.070 -7.857 -6.335 1.00 0.00 C ATOM 868 O LEU A 59 0.755 -7.084 -7.002 1.00 0.00 O ATOM 869 CB LEU A 59 -1.355 -6.939 -4.414 1.00 0.00 C ATOM 870 CG LEU A 59 -2.743 -6.778 -3.790 1.00 0.00 C ATOM 871 CD1 LEU A 59 -2.640 -6.503 -2.288 1.00 0.00 C ATOM 872 CD2 LEU A 59 -3.548 -5.698 -4.516 1.00 0.00 C ATOM 0 H LEU A 59 -2.288 -9.196 -5.228 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.636 -6.601 -6.473 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.778 -7.627 -3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.848 -5.975 -4.377 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.283 -7.717 -3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.640 -6.393 -1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.132 -7.335 -1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.075 -5.586 -2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.530 -5.603 -4.053 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.022 -4.746 -4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.666 -5.975 -5.564 1.00 0.00 H new ATOM 884 N SER A 60 0.448 -9.075 -5.974 1.00 0.00 N ATOM 885 CA SER A 60 1.748 -9.599 -6.357 1.00 0.00 C ATOM 886 C SER A 60 1.906 -9.546 -7.877 1.00 0.00 C ATOM 887 O SER A 60 3.016 -9.388 -8.384 1.00 0.00 O ATOM 888 CB SER A 60 1.934 -11.032 -5.853 1.00 0.00 C ATOM 889 OG SER A 60 3.307 -11.411 -5.818 1.00 0.00 O ATOM 0 H SER A 60 -0.123 -9.714 -5.421 1.00 0.00 H new ATOM 0 HA SER A 60 2.517 -8.978 -5.897 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.507 -11.123 -4.854 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.385 -11.718 -6.498 1.00 0.00 H new ATOM 0 HG SER A 60 3.384 -12.331 -5.490 1.00 0.00 H new ATOM 895 N GLN A 61 0.780 -9.681 -8.563 1.00 0.00 N ATOM 896 CA GLN A 61 0.780 -9.650 -10.015 1.00 0.00 C ATOM 897 C GLN A 61 0.856 -8.207 -10.516 1.00 0.00 C ATOM 898 O GLN A 61 1.480 -7.933 -11.540 1.00 0.00 O ATOM 899 CB GLN A 61 -0.452 -10.362 -10.578 1.00 0.00 C ATOM 900 CG GLN A 61 -1.740 -9.707 -10.078 1.00 0.00 C ATOM 901 CD GLN A 61 -2.956 -10.229 -10.846 1.00 0.00 C ATOM 902 OE1 GLN A 61 -3.450 -9.609 -11.774 1.00 0.00 O ATOM 903 NE2 GLN A 61 -3.408 -11.402 -10.411 1.00 0.00 N ATOM 0 H GLN A 61 -0.139 -9.812 -8.139 1.00 0.00 H new ATOM 0 HA GLN A 61 1.662 -10.183 -10.370 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.426 -10.335 -11.667 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.436 -11.412 -10.284 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.864 -9.907 -9.014 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.670 -8.625 -10.193 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.948 -11.868 -9.629 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.215 -11.836 -10.860 1.00 0.00 H new ATOM 912 N LEU A 62 0.211 -7.321 -9.771 1.00 0.00 N ATOM 913 CA LEU A 62 0.197 -5.912 -10.126 1.00 0.00 C ATOM 914 C LEU A 62 1.633 -5.434 -10.352 1.00 0.00 C ATOM 915 O LEU A 62 2.579 -6.035 -9.844 1.00 0.00 O ATOM 916 CB LEU A 62 -0.563 -5.102 -9.074 1.00 0.00 C ATOM 917 CG LEU A 62 -2.081 -5.035 -9.248 1.00 0.00 C ATOM 918 CD1 LEU A 62 -2.744 -4.383 -8.032 1.00 0.00 C ATOM 919 CD2 LEU A 62 -2.454 -4.326 -10.552 1.00 0.00 C ATOM 0 H LEU A 62 -0.306 -7.552 -8.923 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.341 -5.760 -11.061 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.348 -5.525 -8.093 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.172 -4.085 -9.075 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.462 -6.054 -9.316 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.823 -4.348 -8.181 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.520 -4.967 -7.139 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.361 -3.370 -7.909 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.539 -4.292 -10.650 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.059 -3.310 -10.540 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.030 -4.870 -11.396 1.00 0.00 H new ATOM 931 N ASP A 63 1.751 -4.357 -11.114 1.00 0.00 N ATOM 932 CA ASP A 63 3.055 -3.791 -11.414 1.00 0.00 C ATOM 933 C ASP A 63 3.715 -3.326 -10.114 1.00 0.00 C ATOM 934 O ASP A 63 3.224 -2.408 -9.458 1.00 0.00 O ATOM 935 CB ASP A 63 2.931 -2.580 -12.340 1.00 0.00 C ATOM 936 CG ASP A 63 3.991 -2.495 -13.440 1.00 0.00 C ATOM 937 OD1 ASP A 63 5.058 -3.117 -13.248 1.00 0.00 O ATOM 938 OD2 ASP A 63 3.711 -1.810 -14.447 1.00 0.00 O ATOM 0 H ASP A 63 0.964 -3.861 -11.533 1.00 0.00 H new ATOM 0 HA ASP A 63 3.651 -4.560 -11.905 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.946 -2.598 -12.806 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.982 -1.674 -11.737 1.00 0.00 H new ATOM 943 N ARG A 64 4.818 -3.979 -9.781 1.00 0.00 N ATOM 944 CA ARG A 64 5.550 -3.644 -8.571 1.00 0.00 C ATOM 945 C ARG A 64 5.894 -2.154 -8.555 1.00 0.00 C ATOM 946 O ARG A 64 6.099 -1.572 -7.490 1.00 0.00 O ATOM 947 CB ARG A 64 6.840 -4.460 -8.464 1.00 0.00 C ATOM 948 CG ARG A 64 6.540 -5.918 -8.113 1.00 0.00 C ATOM 949 CD ARG A 64 7.425 -6.398 -6.961 1.00 0.00 C ATOM 950 NE ARG A 64 7.954 -7.748 -7.258 1.00 0.00 N ATOM 951 CZ ARG A 64 8.446 -8.583 -6.332 1.00 0.00 C ATOM 952 NH1 ARG A 64 8.479 -8.211 -5.045 1.00 0.00 N ATOM 953 NH2 ARG A 64 8.905 -9.789 -6.693 1.00 0.00 N ATOM 0 H ARG A 64 5.223 -4.739 -10.328 1.00 0.00 H new ATOM 0 HA ARG A 64 4.912 -3.882 -7.720 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.383 -4.414 -9.408 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.487 -4.025 -7.703 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.490 -6.021 -7.837 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.703 -6.547 -8.988 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.249 -5.701 -6.810 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.851 -6.419 -6.035 1.00 0.00 H new ATOM 0 HE ARG A 64 7.944 -8.063 -8.228 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.130 -7.293 -4.770 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.853 -8.846 -4.340 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.880 -10.072 -7.673 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.279 -10.424 -5.988 1.00 0.00 H new ATOM 967 N ASN A 65 5.948 -1.578 -9.747 1.00 0.00 N ATOM 968 CA ASN A 65 6.264 -0.167 -9.883 1.00 0.00 C ATOM 969 C ASN A 65 5.072 0.560 -10.509 1.00 0.00 C ATOM 970 O ASN A 65 5.248 1.424 -11.367 1.00 0.00 O ATOM 971 CB ASN A 65 7.476 0.041 -10.793 1.00 0.00 C ATOM 972 CG ASN A 65 8.754 -0.476 -10.130 1.00 0.00 C ATOM 973 OD1 ASN A 65 8.770 -0.872 -8.976 1.00 0.00 O ATOM 974 ND2 ASN A 65 9.822 -0.451 -10.922 1.00 0.00 N ATOM 0 H ASN A 65 5.778 -2.064 -10.628 1.00 0.00 H new ATOM 0 HA ASN A 65 6.487 0.226 -8.891 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.318 -0.476 -11.739 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.585 1.101 -11.024 1.00 0.00 H new ATOM 0 HD21 ASN A 65 10.724 -0.776 -10.573 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.740 -0.107 -11.879 1.00 0.00 H new ATOM 981 N LEU A 66 3.885 0.183 -10.056 1.00 0.00 N ATOM 982 CA LEU A 66 2.665 0.789 -10.562 1.00 0.00 C ATOM 983 C LEU A 66 2.613 2.256 -10.133 1.00 0.00 C ATOM 984 O LEU A 66 3.167 2.624 -9.098 1.00 0.00 O ATOM 985 CB LEU A 66 1.444 -0.023 -10.125 1.00 0.00 C ATOM 986 CG LEU A 66 0.128 0.313 -10.830 1.00 0.00 C ATOM 987 CD1 LEU A 66 -0.057 -0.543 -12.084 1.00 0.00 C ATOM 988 CD2 LEU A 66 -1.056 0.187 -9.869 1.00 0.00 C ATOM 0 H LEU A 66 3.742 -0.534 -9.345 1.00 0.00 H new ATOM 0 HA LEU A 66 2.656 0.775 -11.652 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.659 -1.080 -10.284 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.305 0.116 -9.053 1.00 0.00 H new ATOM 0 HG LEU A 66 0.170 1.353 -11.155 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.000 -0.284 -12.566 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.766 -0.359 -12.775 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.069 -1.597 -11.807 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.979 0.431 -10.395 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.112 -0.834 -9.493 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.922 0.874 -9.034 1.00 0.00 H new ATOM 1000 N ASP A 67 1.943 3.055 -10.950 1.00 0.00 N ATOM 1001 CA ASP A 67 1.811 4.475 -10.668 1.00 0.00 C ATOM 1002 C ASP A 67 0.367 4.778 -10.265 1.00 0.00 C ATOM 1003 O ASP A 67 -0.513 3.932 -10.411 1.00 0.00 O ATOM 1004 CB ASP A 67 2.144 5.314 -11.903 1.00 0.00 C ATOM 1005 CG ASP A 67 1.968 6.824 -11.725 1.00 0.00 C ATOM 1006 OD1 ASP A 67 2.471 7.337 -10.702 1.00 0.00 O ATOM 1007 OD2 ASP A 67 1.336 7.430 -12.616 1.00 0.00 O ATOM 0 H ASP A 67 1.485 2.746 -11.808 1.00 0.00 H new ATOM 0 HA ASP A 67 2.503 4.726 -9.864 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.176 5.115 -12.191 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.513 4.985 -12.729 1.00 0.00 H new ATOM 1012 N ARG A 68 0.168 5.989 -9.765 1.00 0.00 N ATOM 1013 CA ARG A 68 -1.154 6.416 -9.340 1.00 0.00 C ATOM 1014 C ARG A 68 -1.872 7.138 -10.482 1.00 0.00 C ATOM 1015 O ARG A 68 -2.927 6.698 -10.934 1.00 0.00 O ATOM 1016 CB ARG A 68 -1.070 7.347 -8.129 1.00 0.00 C ATOM 1017 CG ARG A 68 -0.367 6.659 -6.957 1.00 0.00 C ATOM 1018 CD ARG A 68 -1.339 6.421 -5.799 1.00 0.00 C ATOM 1019 NE ARG A 68 -0.934 7.225 -4.624 1.00 0.00 N ATOM 1020 CZ ARG A 68 -1.277 8.506 -4.437 1.00 0.00 C ATOM 1021 NH1 ARG A 68 -2.034 9.137 -5.345 1.00 0.00 N ATOM 1022 NH2 ARG A 68 -0.864 9.157 -3.340 1.00 0.00 N ATOM 0 H ARG A 68 0.901 6.688 -9.645 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.716 5.525 -9.060 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.530 8.254 -8.400 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.073 7.651 -7.829 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.052 5.708 -7.287 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.467 7.273 -6.617 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.351 6.689 -6.102 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.354 5.363 -5.538 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.358 6.775 -3.912 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.349 8.642 -6.179 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.295 10.113 -5.202 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.289 8.677 -2.648 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.125 10.133 -3.197 1.00 0.00 H new ATOM 1036 N GLU A 69 -1.270 8.236 -10.915 1.00 0.00 N ATOM 1037 CA GLU A 69 -1.838 9.024 -11.996 1.00 0.00 C ATOM 1038 C GLU A 69 -1.897 8.198 -13.282 1.00 0.00 C ATOM 1039 O GLU A 69 -0.914 8.115 -14.016 1.00 0.00 O ATOM 1040 CB GLU A 69 -1.044 10.315 -12.209 1.00 0.00 C ATOM 1041 CG GLU A 69 -1.946 11.432 -12.737 1.00 0.00 C ATOM 1042 CD GLU A 69 -1.905 11.495 -14.265 1.00 0.00 C ATOM 1043 OE1 GLU A 69 -0.789 11.684 -14.796 1.00 0.00 O ATOM 1044 OE2 GLU A 69 -2.991 11.352 -14.868 1.00 0.00 O ATOM 0 H GLU A 69 -0.395 8.599 -10.537 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.855 9.303 -11.720 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.588 10.625 -11.269 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.232 10.135 -12.913 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.970 11.265 -12.404 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.628 12.388 -12.322 1.00 0.00 H new ATOM 1051 N MET A 70 -3.060 7.607 -13.515 1.00 0.00 N ATOM 1052 CA MET A 70 -3.260 6.790 -14.699 1.00 0.00 C ATOM 1053 C MET A 70 -4.441 7.303 -15.526 1.00 0.00 C ATOM 1054 O MET A 70 -5.472 7.682 -14.974 1.00 0.00 O ATOM 1055 CB MET A 70 -3.520 5.341 -14.282 1.00 0.00 C ATOM 1056 CG MET A 70 -2.206 4.573 -14.119 1.00 0.00 C ATOM 1057 SD MET A 70 -2.417 2.882 -14.650 1.00 0.00 S ATOM 1058 CE MET A 70 -1.036 2.736 -15.772 1.00 0.00 C ATOM 0 H MET A 70 -3.873 7.678 -12.903 1.00 0.00 H new ATOM 0 HA MET A 70 -2.360 6.845 -15.312 1.00 0.00 H new ATOM 0 HB2 MET A 70 -4.075 5.323 -13.344 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.142 4.850 -15.030 1.00 0.00 H new ATOM 0 HG2 MET A 70 -1.421 5.051 -14.704 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.887 4.598 -13.077 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.017 1.733 -16.198 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.139 3.468 -16.573 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.107 2.918 -15.231 1.00 0.00 H new ATOM 1068 N ASN A 71 -4.250 7.298 -16.837 1.00 0.00 N ATOM 1069 CA ASN A 71 -5.286 7.758 -17.746 1.00 0.00 C ATOM 1070 C ASN A 71 -4.978 7.258 -19.159 1.00 0.00 C ATOM 1071 O ASN A 71 -4.023 6.511 -19.362 1.00 0.00 O ATOM 1072 CB ASN A 71 -5.343 9.287 -17.787 1.00 0.00 C ATOM 1073 CG ASN A 71 -6.709 9.797 -17.321 1.00 0.00 C ATOM 1074 OD1 ASN A 71 -7.327 9.257 -16.419 1.00 0.00 O ATOM 1075 ND2 ASN A 71 -7.143 10.864 -17.985 1.00 0.00 N ATOM 0 H ASN A 71 -3.393 6.983 -17.292 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.241 7.371 -17.392 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.560 9.701 -17.152 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -5.147 9.635 -18.801 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -8.044 11.280 -17.749 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -6.575 11.267 -18.730 1.00 0.00 H new TER 1082 ASN A 71