USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 539 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 43 THR OG1 : rot 91:sc= 0.0175 USER MOD Set 1.2: A 44 ASN : amide:sc= 0.0178 X(o=0.035,f=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.00427 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.107 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.0149 USER MOD Single : A 14 ASN : amide:sc= -0.278 K(o=-0.28,f=-2.9!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -1.02 X(o=-1,f=-0.63) USER MOD Single : A 35 SER OG : rot 180:sc=0.000337 USER MOD Single : A 47 MET CE :methyl -123:sc= -0.35 (180deg=-2.57!) USER MOD Single : A 57 CYS SG : rot 12:sc= -0.346 USER MOD Single : A 58 LYS NZ :NH3+ -132:sc= -0.0466 (180deg=-0.0565) USER MOD Single : A 61 TYR OH : rot 17:sc= 0.497 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -58:sc= 0.497 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 30.395 7.484 -28.525 1.00 0.00 N ATOM 2 CA GLY A 1 30.117 8.397 -29.618 1.00 0.00 C ATOM 3 C GLY A 1 28.998 9.367 -29.292 1.00 0.00 C ATOM 4 O GLY A 1 29.202 10.581 -29.286 1.00 0.00 O ATOM 0 H1 GLY A 1 31.167 6.842 -28.797 1.00 0.00 H new ATOM 0 H2 GLY A 1 30.676 8.026 -27.683 1.00 0.00 H new ATOM 0 H3 GLY A 1 29.542 6.929 -28.311 1.00 0.00 H new ATOM 0 HA2 GLY A 1 31.021 8.957 -29.859 1.00 0.00 H new ATOM 0 HA3 GLY A 1 29.851 7.825 -30.507 1.00 0.00 H new ATOM 8 N SER A 2 27.812 8.831 -29.022 1.00 0.00 N ATOM 9 CA SER A 2 26.656 9.658 -28.699 1.00 0.00 C ATOM 10 C SER A 2 25.980 9.172 -27.420 1.00 0.00 C ATOM 11 O SER A 2 25.720 7.980 -27.257 1.00 0.00 O ATOM 12 CB SER A 2 25.654 9.645 -29.855 1.00 0.00 C ATOM 13 OG SER A 2 24.970 8.405 -29.923 1.00 0.00 O ATOM 0 H SER A 2 27.627 7.828 -29.021 1.00 0.00 H new ATOM 0 HA SER A 2 27.004 10.679 -28.540 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.935 10.454 -29.726 1.00 0.00 H new ATOM 0 HB3 SER A 2 26.175 9.828 -30.794 1.00 0.00 H new ATOM 0 HG SER A 2 24.334 8.423 -30.669 1.00 0.00 H new ATOM 19 N SER A 3 25.699 10.105 -26.516 1.00 0.00 N ATOM 20 CA SER A 3 25.057 9.773 -25.249 1.00 0.00 C ATOM 21 C SER A 3 23.546 9.650 -25.422 1.00 0.00 C ATOM 22 O SER A 3 22.937 8.675 -24.984 1.00 0.00 O ATOM 23 CB SER A 3 25.377 10.837 -24.197 1.00 0.00 C ATOM 24 OG SER A 3 25.089 12.137 -24.682 1.00 0.00 O ATOM 0 H SER A 3 25.906 11.096 -26.637 1.00 0.00 H new ATOM 0 HA SER A 3 25.446 8.812 -24.913 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.797 10.646 -23.294 1.00 0.00 H new ATOM 0 HB3 SER A 3 26.429 10.774 -23.920 1.00 0.00 H new ATOM 0 HG SER A 3 25.300 12.798 -23.990 1.00 0.00 H new ATOM 30 N GLY A 4 22.947 10.648 -26.064 1.00 0.00 N ATOM 31 CA GLY A 4 21.512 10.634 -26.283 1.00 0.00 C ATOM 32 C GLY A 4 20.728 10.578 -24.987 1.00 0.00 C ATOM 33 O GLY A 4 19.803 9.778 -24.847 1.00 0.00 O ATOM 0 H GLY A 4 23.429 11.466 -26.436 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.224 11.526 -26.840 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.250 9.774 -26.900 1.00 0.00 H new ATOM 37 N SER A 5 21.098 11.430 -24.036 1.00 0.00 N ATOM 38 CA SER A 5 20.426 11.470 -22.743 1.00 0.00 C ATOM 39 C SER A 5 18.951 11.822 -22.908 1.00 0.00 C ATOM 40 O SER A 5 18.606 12.812 -23.554 1.00 0.00 O ATOM 41 CB SER A 5 21.105 12.487 -21.823 1.00 0.00 C ATOM 42 OG SER A 5 20.529 12.468 -20.528 1.00 0.00 O ATOM 0 H SER A 5 21.859 12.101 -24.137 1.00 0.00 H new ATOM 0 HA SER A 5 20.497 10.480 -22.293 1.00 0.00 H new ATOM 0 HB2 SER A 5 22.170 12.265 -21.754 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.014 13.486 -22.250 1.00 0.00 H new ATOM 0 HG SER A 5 20.981 13.125 -19.959 1.00 0.00 H new ATOM 48 N SER A 6 18.084 11.004 -22.319 1.00 0.00 N ATOM 49 CA SER A 6 16.645 11.226 -22.403 1.00 0.00 C ATOM 50 C SER A 6 16.045 11.429 -21.015 1.00 0.00 C ATOM 51 O SER A 6 15.316 12.390 -20.776 1.00 0.00 O ATOM 52 CB SER A 6 15.966 10.044 -23.097 1.00 0.00 C ATOM 53 OG SER A 6 16.198 8.837 -22.393 1.00 0.00 O ATOM 0 H SER A 6 18.353 10.182 -21.779 1.00 0.00 H new ATOM 0 HA SER A 6 16.474 12.129 -22.989 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.894 10.227 -23.168 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.342 9.952 -24.116 1.00 0.00 H new ATOM 0 HG SER A 6 15.752 8.097 -22.856 1.00 0.00 H new ATOM 59 N GLY A 7 16.358 10.514 -20.102 1.00 0.00 N ATOM 60 CA GLY A 7 15.841 10.609 -18.749 1.00 0.00 C ATOM 61 C GLY A 7 15.282 9.292 -18.248 1.00 0.00 C ATOM 62 O GLY A 7 14.066 9.125 -18.141 1.00 0.00 O ATOM 0 H GLY A 7 16.960 9.709 -20.275 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.637 10.940 -18.082 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.060 11.368 -18.714 1.00 0.00 H new ATOM 66 N THR A 8 16.170 8.352 -17.941 1.00 0.00 N ATOM 67 CA THR A 8 15.759 7.042 -17.452 1.00 0.00 C ATOM 68 C THR A 8 16.747 6.504 -16.424 1.00 0.00 C ATOM 69 O THR A 8 17.958 6.516 -16.647 1.00 0.00 O ATOM 70 CB THR A 8 15.629 6.028 -18.604 1.00 0.00 C ATOM 71 OG1 THR A 8 14.745 6.537 -19.608 1.00 0.00 O ATOM 72 CG2 THR A 8 15.108 4.693 -18.093 1.00 0.00 C ATOM 0 H THR A 8 17.179 8.474 -18.022 1.00 0.00 H new ATOM 0 HA THR A 8 14.785 7.172 -16.981 1.00 0.00 H new ATOM 0 HB THR A 8 16.618 5.874 -19.036 1.00 0.00 H new ATOM 0 HG1 THR A 8 14.669 5.887 -20.337 1.00 0.00 H new ATOM 0 HG21 THR A 8 15.024 3.993 -18.924 1.00 0.00 H new ATOM 0 HG22 THR A 8 15.798 4.293 -17.350 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.128 4.835 -17.638 1.00 0.00 H new ATOM 80 N TYR A 9 16.225 6.031 -15.299 1.00 0.00 N ATOM 81 CA TYR A 9 17.062 5.489 -14.235 1.00 0.00 C ATOM 82 C TYR A 9 16.373 4.318 -13.542 1.00 0.00 C ATOM 83 O TYR A 9 15.177 4.090 -13.725 1.00 0.00 O ATOM 84 CB TYR A 9 17.394 6.578 -13.213 1.00 0.00 C ATOM 85 CG TYR A 9 16.212 6.994 -12.367 1.00 0.00 C ATOM 86 CD1 TYR A 9 15.244 7.857 -12.866 1.00 0.00 C ATOM 87 CD2 TYR A 9 16.062 6.523 -11.068 1.00 0.00 C ATOM 88 CE1 TYR A 9 14.163 8.240 -12.096 1.00 0.00 C ATOM 89 CE2 TYR A 9 14.984 6.899 -10.291 1.00 0.00 C ATOM 90 CZ TYR A 9 14.037 7.759 -10.809 1.00 0.00 C ATOM 91 OH TYR A 9 12.961 8.137 -10.039 1.00 0.00 O ATOM 0 H TYR A 9 15.225 6.012 -15.099 1.00 0.00 H new ATOM 0 HA TYR A 9 17.987 5.128 -14.684 1.00 0.00 H new ATOM 0 HB2 TYR A 9 18.190 6.221 -12.560 1.00 0.00 H new ATOM 0 HB3 TYR A 9 17.780 7.452 -13.738 1.00 0.00 H new ATOM 0 HD1 TYR A 9 15.338 8.235 -13.873 1.00 0.00 H new ATOM 0 HD2 TYR A 9 16.802 5.851 -10.659 1.00 0.00 H new ATOM 0 HE1 TYR A 9 13.420 8.912 -12.499 1.00 0.00 H new ATOM 0 HE2 TYR A 9 14.883 6.522 -9.284 1.00 0.00 H new ATOM 0 HH TYR A 9 13.022 7.709 -9.159 1.00 0.00 H new ATOM 101 N ASP A 10 17.136 3.580 -12.744 1.00 0.00 N ATOM 102 CA ASP A 10 16.600 2.433 -12.020 1.00 0.00 C ATOM 103 C ASP A 10 16.803 2.595 -10.517 1.00 0.00 C ATOM 104 O ASP A 10 17.910 2.876 -10.058 1.00 0.00 O ATOM 105 CB ASP A 10 17.266 1.143 -12.501 1.00 0.00 C ATOM 106 CG ASP A 10 18.757 1.124 -12.226 1.00 0.00 C ATOM 107 OD1 ASP A 10 19.519 1.678 -13.046 1.00 0.00 O ATOM 108 OD2 ASP A 10 19.162 0.555 -11.191 1.00 0.00 O ATOM 0 H ASP A 10 18.128 3.755 -12.582 1.00 0.00 H new ATOM 0 HA ASP A 10 15.530 2.377 -12.219 1.00 0.00 H new ATOM 0 HB2 ASP A 10 16.798 0.290 -12.009 1.00 0.00 H new ATOM 0 HB3 ASP A 10 17.095 1.027 -13.571 1.00 0.00 H new ATOM 113 N GLU A 11 15.728 2.417 -9.756 1.00 0.00 N ATOM 114 CA GLU A 11 15.789 2.546 -8.305 1.00 0.00 C ATOM 115 C GLU A 11 15.171 1.328 -7.624 1.00 0.00 C ATOM 116 O GLU A 11 13.949 1.217 -7.516 1.00 0.00 O ATOM 117 CB GLU A 11 15.068 3.817 -7.853 1.00 0.00 C ATOM 118 CG GLU A 11 15.390 4.225 -6.425 1.00 0.00 C ATOM 119 CD GLU A 11 16.879 4.224 -6.140 1.00 0.00 C ATOM 120 OE1 GLU A 11 17.447 3.127 -5.955 1.00 0.00 O ATOM 121 OE2 GLU A 11 17.477 5.319 -6.102 1.00 0.00 O ATOM 0 H GLU A 11 14.804 2.183 -10.120 1.00 0.00 H new ATOM 0 HA GLU A 11 16.838 2.610 -8.015 1.00 0.00 H new ATOM 0 HB2 GLU A 11 15.334 4.634 -8.524 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.992 3.667 -7.945 1.00 0.00 H new ATOM 0 HG2 GLU A 11 14.988 5.221 -6.236 1.00 0.00 H new ATOM 0 HG3 GLU A 11 14.891 3.544 -5.735 1.00 0.00 H new ATOM 128 N TYR A 12 16.023 0.417 -7.167 1.00 0.00 N ATOM 129 CA TYR A 12 15.562 -0.794 -6.499 1.00 0.00 C ATOM 130 C TYR A 12 14.590 -0.458 -5.373 1.00 0.00 C ATOM 131 O TYR A 12 14.257 0.706 -5.152 1.00 0.00 O ATOM 132 CB TYR A 12 16.751 -1.580 -5.945 1.00 0.00 C ATOM 133 CG TYR A 12 17.381 -0.945 -4.726 1.00 0.00 C ATOM 134 CD1 TYR A 12 17.110 0.375 -4.387 1.00 0.00 C ATOM 135 CD2 TYR A 12 18.248 -1.665 -3.912 1.00 0.00 C ATOM 136 CE1 TYR A 12 17.684 0.960 -3.275 1.00 0.00 C ATOM 137 CE2 TYR A 12 18.825 -1.089 -2.797 1.00 0.00 C ATOM 138 CZ TYR A 12 18.541 0.223 -2.483 1.00 0.00 C ATOM 139 OH TYR A 12 19.114 0.802 -1.374 1.00 0.00 O ATOM 0 H TYR A 12 17.037 0.494 -7.247 1.00 0.00 H new ATOM 0 HA TYR A 12 15.040 -1.408 -7.233 1.00 0.00 H new ATOM 0 HB2 TYR A 12 16.423 -2.588 -5.691 1.00 0.00 H new ATOM 0 HB3 TYR A 12 17.506 -1.678 -6.725 1.00 0.00 H new ATOM 0 HD1 TYR A 12 16.439 0.954 -5.004 1.00 0.00 H new ATOM 0 HD2 TYR A 12 18.474 -2.693 -4.156 1.00 0.00 H new ATOM 0 HE1 TYR A 12 17.464 1.988 -3.027 1.00 0.00 H new ATOM 0 HE2 TYR A 12 19.495 -1.663 -2.175 1.00 0.00 H new ATOM 0 HH TYR A 12 19.690 0.149 -0.925 1.00 0.00 H new ATOM 149 N GLU A 13 14.139 -1.488 -4.663 1.00 0.00 N ATOM 150 CA GLU A 13 13.204 -1.303 -3.559 1.00 0.00 C ATOM 151 C GLU A 13 13.923 -1.398 -2.216 1.00 0.00 C ATOM 152 O GLU A 13 14.290 -2.486 -1.772 1.00 0.00 O ATOM 153 CB GLU A 13 12.087 -2.346 -3.627 1.00 0.00 C ATOM 154 CG GLU A 13 12.518 -3.660 -4.254 1.00 0.00 C ATOM 155 CD GLU A 13 11.436 -4.720 -4.191 1.00 0.00 C ATOM 156 OE1 GLU A 13 10.797 -4.854 -3.126 1.00 0.00 O ATOM 157 OE2 GLU A 13 11.227 -5.416 -5.207 1.00 0.00 O ATOM 0 H GLU A 13 14.406 -2.458 -4.832 1.00 0.00 H new ATOM 0 HA GLU A 13 12.768 -0.308 -3.649 1.00 0.00 H new ATOM 0 HB2 GLU A 13 11.719 -2.538 -2.619 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.254 -1.937 -4.198 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.793 -3.489 -5.295 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.410 -4.026 -3.745 1.00 0.00 H new ATOM 164 N ASN A 14 14.121 -0.251 -1.574 1.00 0.00 N ATOM 165 CA ASN A 14 14.797 -0.205 -0.283 1.00 0.00 C ATOM 166 C ASN A 14 13.786 -0.114 0.857 1.00 0.00 C ATOM 167 O ASN A 14 13.745 -0.978 1.734 1.00 0.00 O ATOM 168 CB ASN A 14 15.753 0.988 -0.227 1.00 0.00 C ATOM 169 CG ASN A 14 15.211 2.199 -0.963 1.00 0.00 C ATOM 170 OD1 ASN A 14 15.074 2.186 -2.186 1.00 0.00 O ATOM 171 ND2 ASN A 14 14.900 3.253 -0.218 1.00 0.00 N ATOM 0 H ASN A 14 13.823 0.658 -1.927 1.00 0.00 H new ATOM 0 HA ASN A 14 15.368 -1.126 -0.167 1.00 0.00 H new ATOM 0 HB2 ASN A 14 15.939 1.252 0.814 1.00 0.00 H new ATOM 0 HB3 ASN A 14 16.712 0.702 -0.660 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.531 4.097 -0.657 1.00 0.00 H new ATOM 0 HD22 ASN A 14 15.030 3.219 0.793 1.00 0.00 H new ATOM 178 N ASP A 15 12.973 0.936 0.837 1.00 0.00 N ATOM 179 CA ASP A 15 11.961 1.139 1.867 1.00 0.00 C ATOM 180 C ASP A 15 10.568 1.229 1.251 1.00 0.00 C ATOM 181 O ASP A 15 10.351 1.966 0.289 1.00 0.00 O ATOM 182 CB ASP A 15 12.262 2.408 2.665 1.00 0.00 C ATOM 183 CG ASP A 15 11.011 3.040 3.242 1.00 0.00 C ATOM 184 OD1 ASP A 15 10.394 3.876 2.549 1.00 0.00 O ATOM 185 OD2 ASP A 15 10.648 2.698 4.387 1.00 0.00 O ATOM 0 H ASP A 15 12.995 1.660 0.119 1.00 0.00 H new ATOM 0 HA ASP A 15 11.986 0.282 2.540 1.00 0.00 H new ATOM 0 HB2 ASP A 15 12.951 2.169 3.475 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.765 3.128 2.020 1.00 0.00 H new ATOM 190 N LEU A 16 9.629 0.474 1.810 1.00 0.00 N ATOM 191 CA LEU A 16 8.257 0.468 1.315 1.00 0.00 C ATOM 192 C LEU A 16 7.301 1.049 2.353 1.00 0.00 C ATOM 193 O LEU A 16 6.093 0.826 2.292 1.00 0.00 O ATOM 194 CB LEU A 16 7.831 -0.956 0.953 1.00 0.00 C ATOM 195 CG LEU A 16 8.775 -1.724 0.027 1.00 0.00 C ATOM 196 CD1 LEU A 16 8.320 -3.167 -0.120 1.00 0.00 C ATOM 197 CD2 LEU A 16 8.856 -1.046 -1.333 1.00 0.00 C ATOM 0 H LEU A 16 9.793 -0.142 2.606 1.00 0.00 H new ATOM 0 HA LEU A 16 8.216 1.091 0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.717 -1.525 1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.849 -0.911 0.482 1.00 0.00 H new ATOM 0 HG LEU A 16 9.771 -1.722 0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.003 -3.698 -0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.315 -3.648 0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.315 -3.190 -0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.532 -1.606 -1.979 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.864 -1.016 -1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.230 -0.029 -1.211 1.00 0.00 H new ATOM 209 N GLY A 17 7.852 1.797 3.304 1.00 0.00 N ATOM 210 CA GLY A 17 7.034 2.400 4.340 1.00 0.00 C ATOM 211 C GLY A 17 5.887 1.505 4.767 1.00 0.00 C ATOM 212 O GLY A 17 6.055 0.293 4.904 1.00 0.00 O ATOM 0 H GLY A 17 8.850 1.996 3.375 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.657 2.625 5.206 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.636 3.348 3.979 1.00 0.00 H new ATOM 216 N ILE A 18 4.720 2.104 4.981 1.00 0.00 N ATOM 217 CA ILE A 18 3.542 1.352 5.396 1.00 0.00 C ATOM 218 C ILE A 18 2.911 0.622 4.215 1.00 0.00 C ATOM 219 O ILE A 18 2.885 1.134 3.095 1.00 0.00 O ATOM 220 CB ILE A 18 2.487 2.271 6.040 1.00 0.00 C ATOM 221 CG1 ILE A 18 3.086 3.013 7.236 1.00 0.00 C ATOM 222 CG2 ILE A 18 1.270 1.462 6.467 1.00 0.00 C ATOM 223 CD1 ILE A 18 2.305 4.245 7.636 1.00 0.00 C ATOM 0 H ILE A 18 4.565 3.106 4.874 1.00 0.00 H new ATOM 0 HA ILE A 18 3.877 0.623 6.134 1.00 0.00 H new ATOM 0 HB ILE A 18 2.169 3.008 5.302 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.137 2.333 8.086 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.109 3.303 6.998 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.533 2.125 6.920 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.833 0.975 5.595 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.572 0.706 7.191 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.787 4.720 8.490 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.276 4.944 6.800 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.288 3.960 7.906 1.00 0.00 H new ATOM 235 N THR A 19 2.402 -0.579 4.473 1.00 0.00 N ATOM 236 CA THR A 19 1.770 -1.380 3.432 1.00 0.00 C ATOM 237 C THR A 19 0.358 -1.791 3.835 1.00 0.00 C ATOM 238 O THR A 19 0.026 -1.825 5.019 1.00 0.00 O ATOM 239 CB THR A 19 2.592 -2.645 3.121 1.00 0.00 C ATOM 240 OG1 THR A 19 2.729 -3.443 4.302 1.00 0.00 O ATOM 241 CG2 THR A 19 3.968 -2.279 2.587 1.00 0.00 C ATOM 0 H THR A 19 2.415 -1.018 5.394 1.00 0.00 H new ATOM 0 HA THR A 19 1.723 -0.757 2.539 1.00 0.00 H new ATOM 0 HB THR A 19 2.064 -3.216 2.357 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.251 -4.246 4.095 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.530 -3.189 2.375 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.860 -1.697 1.672 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.502 -1.688 3.331 1.00 0.00 H new ATOM 249 N ALA A 20 -0.468 -2.103 2.842 1.00 0.00 N ATOM 250 CA ALA A 20 -1.844 -2.514 3.094 1.00 0.00 C ATOM 251 C ALA A 20 -2.371 -3.390 1.963 1.00 0.00 C ATOM 252 O ALA A 20 -1.803 -3.419 0.871 1.00 0.00 O ATOM 253 CB ALA A 20 -2.734 -1.294 3.278 1.00 0.00 C ATOM 0 H ALA A 20 -0.209 -2.079 1.856 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.859 -3.103 4.011 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.758 -1.616 3.465 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.377 -0.708 4.125 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.705 -0.683 2.376 1.00 0.00 H new ATOM 259 N VAL A 21 -3.459 -4.104 2.231 1.00 0.00 N ATOM 260 CA VAL A 21 -4.063 -4.982 1.236 1.00 0.00 C ATOM 261 C VAL A 21 -5.504 -4.575 0.947 1.00 0.00 C ATOM 262 O VAL A 21 -6.318 -4.445 1.861 1.00 0.00 O ATOM 263 CB VAL A 21 -4.038 -6.452 1.694 1.00 0.00 C ATOM 264 CG1 VAL A 21 -4.996 -6.666 2.855 1.00 0.00 C ATOM 265 CG2 VAL A 21 -4.376 -7.377 0.534 1.00 0.00 C ATOM 0 H VAL A 21 -3.941 -4.092 3.130 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.471 -4.884 0.326 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.031 -6.691 2.037 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.965 -7.711 3.165 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.703 -6.031 3.691 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.009 -6.410 2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.354 -8.412 0.875 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.371 -7.140 0.158 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.645 -7.242 -0.264 1.00 0.00 H new ATOM 275 N ALA A 22 -5.812 -4.378 -0.331 1.00 0.00 N ATOM 276 CA ALA A 22 -7.156 -3.989 -0.741 1.00 0.00 C ATOM 277 C ALA A 22 -8.179 -5.048 -0.343 1.00 0.00 C ATOM 278 O ALA A 22 -7.899 -6.246 -0.393 1.00 0.00 O ATOM 279 CB ALA A 22 -7.200 -3.746 -2.242 1.00 0.00 C ATOM 0 H ALA A 22 -5.150 -4.481 -1.100 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.413 -3.063 -0.227 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.209 -3.456 -2.534 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.504 -2.949 -2.502 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.918 -4.659 -2.767 1.00 0.00 H new ATOM 285 N LEU A 23 -9.365 -4.599 0.051 1.00 0.00 N ATOM 286 CA LEU A 23 -10.431 -5.508 0.457 1.00 0.00 C ATOM 287 C LEU A 23 -11.461 -5.673 -0.656 1.00 0.00 C ATOM 288 O LEU A 23 -12.005 -6.759 -0.856 1.00 0.00 O ATOM 289 CB LEU A 23 -11.113 -4.992 1.726 1.00 0.00 C ATOM 290 CG LEU A 23 -10.195 -4.722 2.919 1.00 0.00 C ATOM 291 CD1 LEU A 23 -10.936 -3.945 3.997 1.00 0.00 C ATOM 292 CD2 LEU A 23 -9.650 -6.028 3.478 1.00 0.00 C ATOM 0 H LEU A 23 -9.613 -3.611 0.098 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.985 -6.482 0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.639 -4.069 1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.867 -5.718 2.030 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.354 -4.118 2.578 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.267 -3.762 4.838 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.276 -2.993 3.590 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.796 -4.523 4.336 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.999 -5.817 4.326 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.478 -6.658 3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.082 -6.546 2.705 1.00 0.00 H new ATOM 304 N TYR A 24 -11.721 -4.589 -1.379 1.00 0.00 N ATOM 305 CA TYR A 24 -12.686 -4.613 -2.472 1.00 0.00 C ATOM 306 C TYR A 24 -12.205 -3.759 -3.641 1.00 0.00 C ATOM 307 O TYR A 24 -11.510 -2.761 -3.451 1.00 0.00 O ATOM 308 CB TYR A 24 -14.049 -4.115 -1.989 1.00 0.00 C ATOM 309 CG TYR A 24 -14.429 -4.627 -0.618 1.00 0.00 C ATOM 310 CD1 TYR A 24 -13.942 -4.018 0.532 1.00 0.00 C ATOM 311 CD2 TYR A 24 -15.275 -5.720 -0.472 1.00 0.00 C ATOM 312 CE1 TYR A 24 -14.286 -4.482 1.787 1.00 0.00 C ATOM 313 CE2 TYR A 24 -15.625 -6.190 0.779 1.00 0.00 C ATOM 314 CZ TYR A 24 -15.128 -5.568 1.905 1.00 0.00 C ATOM 315 OH TYR A 24 -15.474 -6.034 3.153 1.00 0.00 O ATOM 0 H TYR A 24 -11.277 -3.683 -1.228 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.784 -5.643 -2.814 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -14.043 -3.025 -1.972 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -14.812 -4.419 -2.706 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.283 -3.167 0.443 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -15.665 -6.210 -1.352 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -13.898 -3.997 2.671 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -16.284 -7.040 0.875 1.00 0.00 H new ATOM 0 HH TYR A 24 -16.074 -6.803 3.060 1.00 0.00 H new ATOM 325 N ASP A 25 -12.581 -4.159 -4.851 1.00 0.00 N ATOM 326 CA ASP A 25 -12.191 -3.431 -6.053 1.00 0.00 C ATOM 327 C ASP A 25 -12.527 -1.949 -5.923 1.00 0.00 C ATOM 328 O ASP A 25 -13.549 -1.582 -5.343 1.00 0.00 O ATOM 329 CB ASP A 25 -12.888 -4.019 -7.280 1.00 0.00 C ATOM 330 CG ASP A 25 -14.398 -4.006 -7.150 1.00 0.00 C ATOM 331 OD1 ASP A 25 -14.895 -3.921 -6.008 1.00 0.00 O ATOM 332 OD2 ASP A 25 -15.083 -4.079 -8.192 1.00 0.00 O ATOM 0 H ASP A 25 -13.156 -4.984 -5.025 1.00 0.00 H new ATOM 0 HA ASP A 25 -11.113 -3.531 -6.175 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.598 -3.453 -8.165 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.548 -5.044 -7.431 1.00 0.00 H new ATOM 337 N TYR A 26 -11.660 -1.101 -6.465 1.00 0.00 N ATOM 338 CA TYR A 26 -11.863 0.342 -6.407 1.00 0.00 C ATOM 339 C TYR A 26 -11.362 1.014 -7.682 1.00 0.00 C ATOM 340 O TYR A 26 -10.200 0.868 -8.057 1.00 0.00 O ATOM 341 CB TYR A 26 -11.146 0.930 -5.191 1.00 0.00 C ATOM 342 CG TYR A 26 -11.622 2.316 -4.819 1.00 0.00 C ATOM 343 CD1 TYR A 26 -11.186 3.434 -5.519 1.00 0.00 C ATOM 344 CD2 TYR A 26 -12.510 2.507 -3.767 1.00 0.00 C ATOM 345 CE1 TYR A 26 -11.618 4.702 -5.182 1.00 0.00 C ATOM 346 CE2 TYR A 26 -12.949 3.771 -3.424 1.00 0.00 C ATOM 347 CZ TYR A 26 -12.500 4.865 -4.134 1.00 0.00 C ATOM 348 OH TYR A 26 -12.934 6.127 -3.796 1.00 0.00 O ATOM 0 H TYR A 26 -10.810 -1.388 -6.950 1.00 0.00 H new ATOM 0 HA TYR A 26 -12.933 0.530 -6.315 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.289 0.265 -4.339 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.075 0.965 -5.393 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.497 3.310 -6.341 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -12.863 1.653 -3.208 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.267 5.560 -5.736 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -13.640 3.902 -2.604 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.552 6.068 -3.037 1.00 0.00 H new ATOM 358 N GLN A 27 -12.249 1.752 -8.341 1.00 0.00 N ATOM 359 CA GLN A 27 -11.898 2.447 -9.574 1.00 0.00 C ATOM 360 C GLN A 27 -11.910 3.959 -9.368 1.00 0.00 C ATOM 361 O GLN A 27 -12.964 4.593 -9.412 1.00 0.00 O ATOM 362 CB GLN A 27 -12.868 2.066 -10.694 1.00 0.00 C ATOM 363 CG GLN A 27 -14.331 2.170 -10.294 1.00 0.00 C ATOM 364 CD GLN A 27 -14.856 0.896 -9.662 1.00 0.00 C ATOM 365 OE1 GLN A 27 -15.476 0.926 -8.599 1.00 0.00 O ATOM 366 NE2 GLN A 27 -14.609 -0.234 -10.315 1.00 0.00 N ATOM 0 H GLN A 27 -13.215 1.884 -8.042 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.890 2.144 -9.858 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -12.688 2.711 -11.554 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -12.659 1.045 -11.013 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.454 2.996 -9.593 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -14.928 2.407 -11.174 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -14.091 -0.213 -11.193 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -14.937 -1.123 -9.938 1.00 0.00 H new ATOM 375 N ALA A 28 -10.731 4.529 -9.144 1.00 0.00 N ATOM 376 CA ALA A 28 -10.605 5.966 -8.934 1.00 0.00 C ATOM 377 C ALA A 28 -11.466 6.743 -9.924 1.00 0.00 C ATOM 378 O ALA A 28 -11.498 6.429 -11.113 1.00 0.00 O ATOM 379 CB ALA A 28 -9.149 6.391 -9.050 1.00 0.00 C ATOM 0 H ALA A 28 -9.849 4.018 -9.103 1.00 0.00 H new ATOM 0 HA ALA A 28 -10.959 6.194 -7.928 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.070 7.466 -8.891 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.557 5.869 -8.299 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.776 6.143 -10.044 1.00 0.00 H new ATOM 385 N ALA A 29 -12.163 7.759 -9.425 1.00 0.00 N ATOM 386 CA ALA A 29 -13.023 8.582 -10.267 1.00 0.00 C ATOM 387 C ALA A 29 -12.213 9.635 -11.016 1.00 0.00 C ATOM 388 O ALA A 29 -12.477 9.922 -12.182 1.00 0.00 O ATOM 389 CB ALA A 29 -14.105 9.244 -9.428 1.00 0.00 C ATOM 0 H ALA A 29 -12.149 8.032 -8.442 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.496 7.933 -11.004 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -14.740 9.855 -10.069 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.710 8.477 -8.944 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.642 9.874 -8.669 1.00 0.00 H new ATOM 395 N GLY A 30 -11.225 10.209 -10.336 1.00 0.00 N ATOM 396 CA GLY A 30 -10.392 11.225 -10.953 1.00 0.00 C ATOM 397 C GLY A 30 -8.914 10.907 -10.846 1.00 0.00 C ATOM 398 O GLY A 30 -8.507 10.081 -10.029 1.00 0.00 O ATOM 0 H GLY A 30 -10.987 9.989 -9.369 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.664 11.324 -12.004 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.588 12.187 -10.481 1.00 0.00 H new ATOM 402 N ASP A 31 -8.108 11.561 -11.675 1.00 0.00 N ATOM 403 CA ASP A 31 -6.666 11.343 -11.671 1.00 0.00 C ATOM 404 C ASP A 31 -6.108 11.429 -10.254 1.00 0.00 C ATOM 405 O ASP A 31 -5.149 10.737 -9.911 1.00 0.00 O ATOM 406 CB ASP A 31 -5.972 12.368 -12.569 1.00 0.00 C ATOM 407 CG ASP A 31 -4.504 12.537 -12.227 1.00 0.00 C ATOM 408 OD1 ASP A 31 -4.207 13.021 -11.115 1.00 0.00 O ATOM 409 OD2 ASP A 31 -3.654 12.187 -13.072 1.00 0.00 O ATOM 0 H ASP A 31 -8.429 12.247 -12.359 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.473 10.343 -12.058 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -6.066 12.058 -13.610 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -6.477 13.329 -12.476 1.00 0.00 H new ATOM 414 N ASP A 32 -6.713 12.283 -9.436 1.00 0.00 N ATOM 415 CA ASP A 32 -6.276 12.459 -8.056 1.00 0.00 C ATOM 416 C ASP A 32 -6.307 11.133 -7.302 1.00 0.00 C ATOM 417 O ASP A 32 -5.403 10.829 -6.525 1.00 0.00 O ATOM 418 CB ASP A 32 -7.161 13.485 -7.345 1.00 0.00 C ATOM 419 CG ASP A 32 -8.632 13.297 -7.661 1.00 0.00 C ATOM 420 OD1 ASP A 32 -9.086 13.814 -8.702 1.00 0.00 O ATOM 421 OD2 ASP A 32 -9.330 12.634 -6.865 1.00 0.00 O ATOM 0 H ASP A 32 -7.507 12.864 -9.704 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.249 12.824 -8.070 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.011 13.406 -6.268 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.855 14.489 -7.637 1.00 0.00 H new ATOM 426 N GLU A 33 -7.355 10.349 -7.537 1.00 0.00 N ATOM 427 CA GLU A 33 -7.504 9.057 -6.878 1.00 0.00 C ATOM 428 C GLU A 33 -6.802 7.958 -7.671 1.00 0.00 C ATOM 429 O GLU A 33 -6.526 8.116 -8.861 1.00 0.00 O ATOM 430 CB GLU A 33 -8.985 8.713 -6.710 1.00 0.00 C ATOM 431 CG GLU A 33 -9.725 9.651 -5.772 1.00 0.00 C ATOM 432 CD GLU A 33 -11.190 9.803 -6.133 1.00 0.00 C ATOM 433 OE1 GLU A 33 -11.834 8.777 -6.441 1.00 0.00 O ATOM 434 OE2 GLU A 33 -11.692 10.946 -6.109 1.00 0.00 O ATOM 0 H GLU A 33 -8.112 10.586 -8.178 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.040 9.124 -5.894 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.467 8.735 -7.687 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.072 7.694 -6.334 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.643 9.277 -4.751 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.247 10.630 -5.792 1.00 0.00 H new ATOM 441 N ILE A 34 -6.516 6.845 -7.004 1.00 0.00 N ATOM 442 CA ILE A 34 -5.848 5.720 -7.645 1.00 0.00 C ATOM 443 C ILE A 34 -6.774 4.513 -7.743 1.00 0.00 C ATOM 444 O ILE A 34 -7.676 4.341 -6.923 1.00 0.00 O ATOM 445 CB ILE A 34 -4.573 5.314 -6.883 1.00 0.00 C ATOM 446 CG1 ILE A 34 -4.859 5.212 -5.383 1.00 0.00 C ATOM 447 CG2 ILE A 34 -3.456 6.313 -7.148 1.00 0.00 C ATOM 448 CD1 ILE A 34 -3.806 4.443 -4.618 1.00 0.00 C ATOM 0 H ILE A 34 -6.737 6.699 -6.019 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.574 6.046 -8.648 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.251 4.336 -7.240 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.937 6.217 -4.967 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.826 4.731 -5.238 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.562 6.012 -6.602 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.238 6.340 -8.216 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.767 7.303 -6.816 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.074 4.411 -3.562 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.743 3.427 -5.007 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.841 4.936 -4.732 1.00 0.00 H new ATOM 460 N SER A 35 -6.545 3.678 -8.752 1.00 0.00 N ATOM 461 CA SER A 35 -7.361 2.487 -8.959 1.00 0.00 C ATOM 462 C SER A 35 -6.545 1.221 -8.715 1.00 0.00 C ATOM 463 O SER A 35 -5.457 1.054 -9.266 1.00 0.00 O ATOM 464 CB SER A 35 -7.931 2.474 -10.378 1.00 0.00 C ATOM 465 OG SER A 35 -8.275 3.782 -10.802 1.00 0.00 O ATOM 0 H SER A 35 -5.801 3.804 -9.439 1.00 0.00 H new ATOM 0 HA SER A 35 -8.184 2.512 -8.245 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.199 2.047 -11.063 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.812 1.833 -10.413 1.00 0.00 H new ATOM 0 HG SER A 35 -8.635 3.747 -11.713 1.00 0.00 H new ATOM 471 N PHE A 36 -7.079 0.331 -7.885 1.00 0.00 N ATOM 472 CA PHE A 36 -6.401 -0.920 -7.566 1.00 0.00 C ATOM 473 C PHE A 36 -7.406 -2.058 -7.412 1.00 0.00 C ATOM 474 O PHE A 36 -8.560 -1.837 -7.046 1.00 0.00 O ATOM 475 CB PHE A 36 -5.584 -0.769 -6.282 1.00 0.00 C ATOM 476 CG PHE A 36 -6.235 0.115 -5.257 1.00 0.00 C ATOM 477 CD1 PHE A 36 -7.466 -0.220 -4.716 1.00 0.00 C ATOM 478 CD2 PHE A 36 -5.617 1.281 -4.835 1.00 0.00 C ATOM 479 CE1 PHE A 36 -8.068 0.592 -3.773 1.00 0.00 C ATOM 480 CE2 PHE A 36 -6.214 2.097 -3.892 1.00 0.00 C ATOM 481 CZ PHE A 36 -7.441 1.752 -3.360 1.00 0.00 C ATOM 0 H PHE A 36 -7.979 0.453 -7.421 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.729 -1.161 -8.389 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.419 -1.755 -5.848 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.604 -0.363 -6.530 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.961 -1.126 -5.035 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.657 1.556 -5.248 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.028 0.320 -3.359 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.721 3.003 -3.572 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.909 2.387 -2.623 1.00 0.00 H new ATOM 491 N ASP A 37 -6.957 -3.276 -7.695 1.00 0.00 N ATOM 492 CA ASP A 37 -7.815 -4.451 -7.588 1.00 0.00 C ATOM 493 C ASP A 37 -7.892 -4.938 -6.145 1.00 0.00 C ATOM 494 O ASP A 37 -7.054 -4.606 -5.306 1.00 0.00 O ATOM 495 CB ASP A 37 -7.297 -5.571 -8.491 1.00 0.00 C ATOM 496 CG ASP A 37 -7.893 -5.515 -9.884 1.00 0.00 C ATOM 497 OD1 ASP A 37 -8.955 -6.135 -10.100 1.00 0.00 O ATOM 498 OD2 ASP A 37 -7.297 -4.851 -10.758 1.00 0.00 O ATOM 0 H ASP A 37 -6.004 -3.476 -8.000 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.817 -4.169 -7.911 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.211 -5.504 -8.561 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.529 -6.535 -8.038 1.00 0.00 H new ATOM 503 N PRO A 38 -8.922 -5.744 -5.846 1.00 0.00 N ATOM 504 CA PRO A 38 -9.133 -6.294 -4.503 1.00 0.00 C ATOM 505 C PRO A 38 -8.082 -7.335 -4.132 1.00 0.00 C ATOM 506 O PRO A 38 -7.717 -8.182 -4.948 1.00 0.00 O ATOM 507 CB PRO A 38 -10.517 -6.941 -4.599 1.00 0.00 C ATOM 508 CG PRO A 38 -10.686 -7.262 -6.044 1.00 0.00 C ATOM 509 CD PRO A 38 -9.958 -6.182 -6.795 1.00 0.00 C ATOM 0 HA PRO A 38 -9.058 -5.528 -3.731 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.578 -7.839 -3.984 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.296 -6.263 -4.250 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.275 -8.244 -6.276 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.741 -7.285 -6.318 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.522 -6.560 -7.720 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.624 -5.364 -7.068 1.00 0.00 H new ATOM 517 N ASP A 39 -7.600 -7.267 -2.896 1.00 0.00 N ATOM 518 CA ASP A 39 -6.593 -8.205 -2.415 1.00 0.00 C ATOM 519 C ASP A 39 -5.227 -7.893 -3.019 1.00 0.00 C ATOM 520 O ASP A 39 -4.383 -8.777 -3.161 1.00 0.00 O ATOM 521 CB ASP A 39 -6.998 -9.640 -2.755 1.00 0.00 C ATOM 522 CG ASP A 39 -6.395 -10.653 -1.801 1.00 0.00 C ATOM 523 OD1 ASP A 39 -5.359 -10.339 -1.180 1.00 0.00 O ATOM 524 OD2 ASP A 39 -6.960 -11.761 -1.677 1.00 0.00 O ATOM 0 H ASP A 39 -7.891 -6.572 -2.209 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.524 -8.102 -1.332 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.085 -9.723 -2.730 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.684 -9.872 -3.773 1.00 0.00 H new ATOM 529 N ASP A 40 -5.018 -6.630 -3.374 1.00 0.00 N ATOM 530 CA ASP A 40 -3.756 -6.200 -3.963 1.00 0.00 C ATOM 531 C ASP A 40 -2.779 -5.746 -2.883 1.00 0.00 C ATOM 532 O ASP A 40 -3.122 -5.702 -1.701 1.00 0.00 O ATOM 533 CB ASP A 40 -3.994 -5.067 -4.963 1.00 0.00 C ATOM 534 CG ASP A 40 -4.245 -5.577 -6.368 1.00 0.00 C ATOM 535 OD1 ASP A 40 -4.051 -6.788 -6.603 1.00 0.00 O ATOM 536 OD2 ASP A 40 -4.638 -4.765 -7.232 1.00 0.00 O ATOM 0 H ASP A 40 -5.707 -5.886 -3.264 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.320 -7.050 -4.487 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.848 -4.473 -4.638 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.128 -4.404 -4.969 1.00 0.00 H new ATOM 541 N ILE A 41 -1.562 -5.409 -3.297 1.00 0.00 N ATOM 542 CA ILE A 41 -0.536 -4.958 -2.365 1.00 0.00 C ATOM 543 C ILE A 41 -0.080 -3.541 -2.693 1.00 0.00 C ATOM 544 O ILE A 41 0.238 -3.230 -3.841 1.00 0.00 O ATOM 545 CB ILE A 41 0.687 -5.895 -2.377 1.00 0.00 C ATOM 546 CG1 ILE A 41 0.263 -7.326 -2.041 1.00 0.00 C ATOM 547 CG2 ILE A 41 1.739 -5.404 -1.394 1.00 0.00 C ATOM 548 CD1 ILE A 41 -0.372 -7.464 -0.675 1.00 0.00 C ATOM 0 H ILE A 41 -1.263 -5.440 -4.272 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.984 -4.972 -1.372 1.00 0.00 H new ATOM 0 HB ILE A 41 1.121 -5.890 -3.377 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.441 -7.674 -2.797 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.136 -7.977 -2.094 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.597 -6.076 -1.414 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.058 -4.400 -1.674 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.317 -5.384 -0.389 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.647 -8.505 -0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.337 -7.147 0.090 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.264 -6.840 -0.624 1.00 0.00 H new ATOM 560 N ILE A 42 -0.047 -2.686 -1.676 1.00 0.00 N ATOM 561 CA ILE A 42 0.373 -1.302 -1.856 1.00 0.00 C ATOM 562 C ILE A 42 1.599 -0.985 -1.006 1.00 0.00 C ATOM 563 O ILE A 42 1.752 -1.502 0.101 1.00 0.00 O ATOM 564 CB ILE A 42 -0.756 -0.318 -1.496 1.00 0.00 C ATOM 565 CG1 ILE A 42 -1.954 -0.521 -2.425 1.00 0.00 C ATOM 566 CG2 ILE A 42 -0.254 1.116 -1.573 1.00 0.00 C ATOM 567 CD1 ILE A 42 -2.956 -1.530 -1.909 1.00 0.00 C ATOM 0 H ILE A 42 -0.306 -2.927 -0.719 1.00 0.00 H new ATOM 0 HA ILE A 42 0.623 -1.183 -2.910 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.077 -0.514 -0.473 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.456 0.435 -2.571 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.595 -0.845 -3.402 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.063 1.799 -1.316 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.571 1.251 -0.873 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.091 1.327 -2.585 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.778 -1.622 -2.619 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.469 -2.498 -1.790 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.344 -1.198 -0.946 1.00 0.00 H new ATOM 579 N THR A 43 2.471 -0.129 -1.531 1.00 0.00 N ATOM 580 CA THR A 43 3.683 0.258 -0.821 1.00 0.00 C ATOM 581 C THR A 43 3.779 1.774 -0.682 1.00 0.00 C ATOM 582 O THR A 43 3.077 2.514 -1.369 1.00 0.00 O ATOM 583 CB THR A 43 4.944 -0.261 -1.537 1.00 0.00 C ATOM 584 OG1 THR A 43 5.005 0.267 -2.866 1.00 0.00 O ATOM 585 CG2 THR A 43 4.949 -1.781 -1.589 1.00 0.00 C ATOM 0 H THR A 43 2.360 0.309 -2.445 1.00 0.00 H new ATOM 0 HA THR A 43 3.626 -0.192 0.170 1.00 0.00 H new ATOM 0 HB THR A 43 5.817 0.071 -0.975 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.513 1.105 -2.862 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.849 -2.125 -2.099 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.932 -2.180 -0.575 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.070 -2.129 -2.131 1.00 0.00 H new ATOM 593 N ASN A 44 4.654 2.228 0.210 1.00 0.00 N ATOM 594 CA ASN A 44 4.841 3.656 0.438 1.00 0.00 C ATOM 595 C ASN A 44 3.515 4.333 0.767 1.00 0.00 C ATOM 596 O ASN A 44 3.178 5.372 0.198 1.00 0.00 O ATOM 597 CB ASN A 44 5.469 4.312 -0.794 1.00 0.00 C ATOM 598 CG ASN A 44 6.765 3.642 -1.208 1.00 0.00 C ATOM 599 OD1 ASN A 44 6.813 2.919 -2.203 1.00 0.00 O ATOM 600 ND2 ASN A 44 7.825 3.880 -0.443 1.00 0.00 N ATOM 0 H ASN A 44 5.244 1.628 0.786 1.00 0.00 H new ATOM 0 HA ASN A 44 5.511 3.778 1.289 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.762 4.273 -1.623 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.658 5.365 -0.585 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.724 3.457 -0.672 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.739 4.486 0.373 1.00 0.00 H new ATOM 607 N ILE A 45 2.766 3.738 1.690 1.00 0.00 N ATOM 608 CA ILE A 45 1.477 4.284 2.096 1.00 0.00 C ATOM 609 C ILE A 45 1.656 5.467 3.043 1.00 0.00 C ATOM 610 O ILE A 45 2.257 5.336 4.108 1.00 0.00 O ATOM 611 CB ILE A 45 0.605 3.218 2.784 1.00 0.00 C ATOM 612 CG1 ILE A 45 0.193 2.140 1.780 1.00 0.00 C ATOM 613 CG2 ILE A 45 -0.622 3.861 3.413 1.00 0.00 C ATOM 614 CD1 ILE A 45 -0.478 0.944 2.419 1.00 0.00 C ATOM 0 H ILE A 45 3.030 2.878 2.170 1.00 0.00 H new ATOM 0 HA ILE A 45 0.976 4.620 1.188 1.00 0.00 H new ATOM 0 HB ILE A 45 1.189 2.748 3.575 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.484 2.578 1.047 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.076 1.804 1.237 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.228 3.094 3.895 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.308 4.595 4.155 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.210 4.355 2.640 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.743 0.220 1.648 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.205 0.481 3.132 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.380 1.267 2.938 1.00 0.00 H new ATOM 626 N GLU A 46 1.128 6.620 2.646 1.00 0.00 N ATOM 627 CA GLU A 46 1.228 7.826 3.460 1.00 0.00 C ATOM 628 C GLU A 46 -0.069 8.075 4.225 1.00 0.00 C ATOM 629 O GLU A 46 -1.156 8.046 3.650 1.00 0.00 O ATOM 630 CB GLU A 46 1.555 9.035 2.582 1.00 0.00 C ATOM 631 CG GLU A 46 2.363 10.106 3.296 1.00 0.00 C ATOM 632 CD GLU A 46 2.085 11.499 2.765 1.00 0.00 C ATOM 633 OE1 GLU A 46 1.848 11.631 1.545 1.00 0.00 O ATOM 634 OE2 GLU A 46 2.104 12.455 3.567 1.00 0.00 O ATOM 0 H GLU A 46 0.627 6.745 1.766 1.00 0.00 H new ATOM 0 HA GLU A 46 2.033 7.681 4.181 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.109 8.698 1.706 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.625 9.474 2.222 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.137 10.076 4.362 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.425 9.886 3.189 1.00 0.00 H new ATOM 641 N MET A 47 0.057 8.319 5.526 1.00 0.00 N ATOM 642 CA MET A 47 -1.105 8.574 6.370 1.00 0.00 C ATOM 643 C MET A 47 -1.415 10.066 6.431 1.00 0.00 C ATOM 644 O MET A 47 -0.753 10.818 7.147 1.00 0.00 O ATOM 645 CB MET A 47 -0.865 8.033 7.781 1.00 0.00 C ATOM 646 CG MET A 47 -0.553 6.545 7.816 1.00 0.00 C ATOM 647 SD MET A 47 -0.694 5.845 9.471 1.00 0.00 S ATOM 648 CE MET A 47 -1.155 4.157 9.086 1.00 0.00 C ATOM 0 H MET A 47 0.950 8.345 6.018 1.00 0.00 H new ATOM 0 HA MET A 47 -1.961 8.061 5.932 1.00 0.00 H new ATOM 0 HB2 MET A 47 -0.039 8.580 8.235 1.00 0.00 H new ATOM 0 HB3 MET A 47 -1.748 8.225 8.390 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.232 6.019 7.144 1.00 0.00 H new ATOM 0 HG3 MET A 47 0.457 6.381 7.441 1.00 0.00 H new ATOM 0 HE1 MET A 47 -2.098 3.916 9.577 1.00 0.00 H new ATOM 0 HE2 MET A 47 -1.269 4.048 8.008 1.00 0.00 H new ATOM 0 HE3 MET A 47 -0.379 3.478 9.439 1.00 0.00 H new ATOM 658 N ILE A 48 -2.425 10.487 5.677 1.00 0.00 N ATOM 659 CA ILE A 48 -2.822 11.889 5.647 1.00 0.00 C ATOM 660 C ILE A 48 -4.182 12.090 6.309 1.00 0.00 C ATOM 661 O ILE A 48 -4.309 12.842 7.274 1.00 0.00 O ATOM 662 CB ILE A 48 -2.881 12.427 4.205 1.00 0.00 C ATOM 663 CG1 ILE A 48 -1.533 12.230 3.509 1.00 0.00 C ATOM 664 CG2 ILE A 48 -3.274 13.897 4.204 1.00 0.00 C ATOM 665 CD1 ILE A 48 -1.515 12.722 2.078 1.00 0.00 C ATOM 0 H ILE A 48 -2.983 9.877 5.079 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.065 12.443 6.202 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.638 11.868 3.655 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.761 12.753 4.074 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.277 11.171 3.524 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.311 14.263 3.178 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.254 14.012 4.666 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.538 14.471 4.767 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.529 12.551 1.647 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.263 12.182 1.498 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.740 13.788 2.057 1.00 0.00 H new ATOM 677 N ASP A 49 -5.195 11.410 5.783 1.00 0.00 N ATOM 678 CA ASP A 49 -6.545 11.510 6.324 1.00 0.00 C ATOM 679 C ASP A 49 -6.990 10.180 6.925 1.00 0.00 C ATOM 680 O ASP A 49 -6.871 9.131 6.291 1.00 0.00 O ATOM 681 CB ASP A 49 -7.524 11.944 5.232 1.00 0.00 C ATOM 682 CG ASP A 49 -7.483 13.438 4.978 1.00 0.00 C ATOM 683 OD1 ASP A 49 -7.814 14.207 5.905 1.00 0.00 O ATOM 684 OD2 ASP A 49 -7.120 13.838 3.853 1.00 0.00 O ATOM 0 H ASP A 49 -5.107 10.784 4.983 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.538 12.261 7.114 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.291 11.415 4.308 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.535 11.655 5.519 1.00 0.00 H new ATOM 689 N ASP A 50 -7.502 10.231 8.150 1.00 0.00 N ATOM 690 CA ASP A 50 -7.964 9.031 8.836 1.00 0.00 C ATOM 691 C ASP A 50 -8.884 8.211 7.936 1.00 0.00 C ATOM 692 O ASP A 50 -9.108 7.025 8.177 1.00 0.00 O ATOM 693 CB ASP A 50 -8.695 9.405 10.127 1.00 0.00 C ATOM 694 CG ASP A 50 -9.755 10.466 9.906 1.00 0.00 C ATOM 695 OD1 ASP A 50 -9.396 11.661 9.849 1.00 0.00 O ATOM 696 OD2 ASP A 50 -10.943 10.101 9.789 1.00 0.00 O ATOM 0 H ASP A 50 -7.607 11.091 8.688 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.092 8.425 9.083 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.160 8.514 10.549 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.972 9.765 10.859 1.00 0.00 H new ATOM 701 N GLY A 51 -9.415 8.852 6.899 1.00 0.00 N ATOM 702 CA GLY A 51 -10.305 8.167 5.980 1.00 0.00 C ATOM 703 C GLY A 51 -9.687 7.977 4.609 1.00 0.00 C ATOM 704 O GLY A 51 -10.077 7.077 3.865 1.00 0.00 O ATOM 0 H GLY A 51 -9.245 9.833 6.679 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.571 7.194 6.393 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.230 8.736 5.883 1.00 0.00 H new ATOM 708 N TRP A 52 -8.724 8.827 4.273 1.00 0.00 N ATOM 709 CA TRP A 52 -8.053 8.749 2.980 1.00 0.00 C ATOM 710 C TRP A 52 -6.538 8.764 3.151 1.00 0.00 C ATOM 711 O TRP A 52 -6.014 9.399 4.066 1.00 0.00 O ATOM 712 CB TRP A 52 -8.489 9.911 2.085 1.00 0.00 C ATOM 713 CG TRP A 52 -9.944 9.871 1.727 1.00 0.00 C ATOM 714 CD1 TRP A 52 -10.994 10.240 2.519 1.00 0.00 C ATOM 715 CD2 TRP A 52 -10.509 9.436 0.486 1.00 0.00 C ATOM 716 NE1 TRP A 52 -12.177 10.060 1.845 1.00 0.00 N ATOM 717 CE2 TRP A 52 -11.907 9.569 0.595 1.00 0.00 C ATOM 718 CE3 TRP A 52 -9.970 8.949 -0.708 1.00 0.00 C ATOM 719 CZ2 TRP A 52 -12.770 9.231 -0.444 1.00 0.00 C ATOM 720 CZ3 TRP A 52 -10.828 8.614 -1.738 1.00 0.00 C ATOM 721 CH2 TRP A 52 -12.215 8.756 -1.602 1.00 0.00 C ATOM 0 H TRP A 52 -8.390 9.578 4.877 1.00 0.00 H new ATOM 0 HA TRP A 52 -8.337 7.809 2.507 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -8.272 10.852 2.592 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.897 9.898 1.170 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -10.907 10.618 3.527 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -13.106 10.260 2.215 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.902 8.837 -0.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -13.839 9.340 -0.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -10.422 8.236 -2.665 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -12.859 8.486 -2.426 1.00 0.00 H new ATOM 732 N TRP A 53 -5.840 8.062 2.266 1.00 0.00 N ATOM 733 CA TRP A 53 -4.384 7.995 2.320 1.00 0.00 C ATOM 734 C TRP A 53 -3.778 8.198 0.936 1.00 0.00 C ATOM 735 O TRP A 53 -4.498 8.379 -0.046 1.00 0.00 O ATOM 736 CB TRP A 53 -3.936 6.651 2.895 1.00 0.00 C ATOM 737 CG TRP A 53 -4.287 6.476 4.341 1.00 0.00 C ATOM 738 CD1 TRP A 53 -4.414 7.461 5.278 1.00 0.00 C ATOM 739 CD2 TRP A 53 -4.555 5.241 5.015 1.00 0.00 C ATOM 740 NE1 TRP A 53 -4.745 6.913 6.495 1.00 0.00 N ATOM 741 CE2 TRP A 53 -4.838 5.553 6.359 1.00 0.00 C ATOM 742 CE3 TRP A 53 -4.585 3.903 4.613 1.00 0.00 C ATOM 743 CZ2 TRP A 53 -5.145 4.575 7.301 1.00 0.00 C ATOM 744 CZ3 TRP A 53 -4.890 2.934 5.549 1.00 0.00 C ATOM 745 CH2 TRP A 53 -5.167 3.273 6.880 1.00 0.00 C ATOM 0 H TRP A 53 -6.259 7.531 1.502 1.00 0.00 H new ATOM 0 HA TRP A 53 -4.032 8.796 2.971 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.393 5.847 2.318 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -2.857 6.555 2.777 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -4.275 8.516 5.091 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -4.897 7.434 7.359 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -4.374 3.632 3.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.358 4.835 8.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.915 1.897 5.250 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.402 2.492 7.587 1.00 0.00 H new ATOM 756 N ARG A 54 -2.452 8.166 0.865 1.00 0.00 N ATOM 757 CA ARG A 54 -1.750 8.348 -0.400 1.00 0.00 C ATOM 758 C ARG A 54 -0.518 7.450 -0.472 1.00 0.00 C ATOM 759 O ARG A 54 0.437 7.626 0.283 1.00 0.00 O ATOM 760 CB ARG A 54 -1.338 9.811 -0.574 1.00 0.00 C ATOM 761 CG ARG A 54 -2.428 10.683 -1.173 1.00 0.00 C ATOM 762 CD ARG A 54 -1.843 11.828 -1.985 1.00 0.00 C ATOM 763 NE ARG A 54 -1.569 13.001 -1.160 1.00 0.00 N ATOM 764 CZ ARG A 54 -1.095 14.144 -1.642 1.00 0.00 C ATOM 765 NH1 ARG A 54 -0.843 14.267 -2.938 1.00 0.00 N ATOM 766 NH2 ARG A 54 -0.872 15.168 -0.828 1.00 0.00 N ATOM 0 H ARG A 54 -1.842 8.016 1.668 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.429 8.071 -1.206 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.052 10.217 0.396 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.455 9.858 -1.212 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.072 10.076 -1.809 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.054 11.084 -0.376 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.921 11.498 -2.464 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.536 12.099 -2.781 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.752 12.939 -0.158 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.013 13.483 -3.567 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.479 15.146 -3.306 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.065 15.078 0.170 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.508 16.045 -1.200 1.00 0.00 H new ATOM 780 N GLY A 55 -0.548 6.484 -1.386 1.00 0.00 N ATOM 781 CA GLY A 55 0.570 5.573 -1.539 1.00 0.00 C ATOM 782 C GLY A 55 0.830 5.213 -2.989 1.00 0.00 C ATOM 783 O GLY A 55 0.021 5.515 -3.866 1.00 0.00 O ATOM 0 H GLY A 55 -1.327 6.317 -2.023 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.465 6.027 -1.114 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.374 4.663 -0.971 1.00 0.00 H new ATOM 787 N VAL A 56 1.964 4.567 -3.242 1.00 0.00 N ATOM 788 CA VAL A 56 2.329 4.166 -4.596 1.00 0.00 C ATOM 789 C VAL A 56 1.851 2.750 -4.898 1.00 0.00 C ATOM 790 O VAL A 56 2.433 1.773 -4.425 1.00 0.00 O ATOM 791 CB VAL A 56 3.853 4.237 -4.810 1.00 0.00 C ATOM 792 CG1 VAL A 56 4.203 3.933 -6.259 1.00 0.00 C ATOM 793 CG2 VAL A 56 4.385 5.602 -4.399 1.00 0.00 C ATOM 0 H VAL A 56 2.645 4.310 -2.528 1.00 0.00 H new ATOM 0 HA VAL A 56 1.840 4.864 -5.275 1.00 0.00 H new ATOM 0 HB VAL A 56 4.327 3.483 -4.181 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.284 3.988 -6.392 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.856 2.932 -6.515 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.720 4.661 -6.910 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.463 5.635 -4.557 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.907 6.375 -5.000 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.167 5.775 -3.345 1.00 0.00 H new ATOM 803 N CYS A 57 0.788 2.647 -5.688 1.00 0.00 N ATOM 804 CA CYS A 57 0.230 1.350 -6.053 1.00 0.00 C ATOM 805 C CYS A 57 0.345 1.112 -7.556 1.00 0.00 C ATOM 806 O CYS A 57 -0.100 1.930 -8.361 1.00 0.00 O ATOM 807 CB CYS A 57 -1.235 1.261 -5.622 1.00 0.00 C ATOM 808 SG CYS A 57 -2.388 2.071 -6.754 1.00 0.00 S ATOM 0 H CYS A 57 0.296 3.446 -6.088 1.00 0.00 H new ATOM 0 HA CYS A 57 0.801 0.579 -5.536 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.512 0.211 -5.528 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.339 1.708 -4.633 1.00 0.00 H new ATOM 0 HG CYS A 57 -1.774 2.365 -7.862 1.00 0.00 H new ATOM 814 N LYS A 58 0.948 -0.012 -7.927 1.00 0.00 N ATOM 815 CA LYS A 58 1.123 -0.359 -9.332 1.00 0.00 C ATOM 816 C LYS A 58 1.727 0.807 -10.109 1.00 0.00 C ATOM 817 O LYS A 58 1.436 0.997 -11.289 1.00 0.00 O ATOM 818 CB LYS A 58 -0.219 -0.757 -9.952 1.00 0.00 C ATOM 819 CG LYS A 58 -0.758 -2.080 -9.436 1.00 0.00 C ATOM 820 CD LYS A 58 -1.745 -2.698 -10.412 1.00 0.00 C ATOM 821 CE LYS A 58 -1.716 -4.218 -10.346 1.00 0.00 C ATOM 822 NZ LYS A 58 -2.693 -4.749 -9.356 1.00 0.00 N ATOM 0 H LYS A 58 1.324 -0.699 -7.273 1.00 0.00 H new ATOM 0 HA LYS A 58 1.808 -1.205 -9.389 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.949 0.027 -9.751 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.106 -0.817 -11.034 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.069 -2.770 -9.267 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.245 -1.925 -8.473 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.751 -2.342 -10.189 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.509 -2.372 -11.425 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.938 -4.629 -11.331 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.713 -4.551 -10.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.225 -5.453 -8.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.051 -3.969 -8.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.487 -5.197 -9.857 1.00 0.00 H new ATOM 836 N GLY A 59 2.573 1.583 -9.438 1.00 0.00 N ATOM 837 CA GLY A 59 3.206 2.719 -10.082 1.00 0.00 C ATOM 838 C GLY A 59 2.280 3.914 -10.192 1.00 0.00 C ATOM 839 O GLY A 59 2.255 4.597 -11.216 1.00 0.00 O ATOM 0 H GLY A 59 2.831 1.445 -8.461 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.095 3.003 -9.519 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.539 2.429 -11.078 1.00 0.00 H new ATOM 843 N ARG A 60 1.516 4.167 -9.135 1.00 0.00 N ATOM 844 CA ARG A 60 0.581 5.286 -9.117 1.00 0.00 C ATOM 845 C ARG A 60 0.394 5.817 -7.699 1.00 0.00 C ATOM 846 O ARG A 60 0.064 5.064 -6.782 1.00 0.00 O ATOM 847 CB ARG A 60 -0.769 4.860 -9.696 1.00 0.00 C ATOM 848 CG ARG A 60 -0.883 5.073 -11.197 1.00 0.00 C ATOM 849 CD ARG A 60 -2.318 5.362 -11.611 1.00 0.00 C ATOM 850 NE ARG A 60 -3.050 4.142 -11.937 1.00 0.00 N ATOM 851 CZ ARG A 60 -4.224 4.133 -12.557 1.00 0.00 C ATOM 852 NH1 ARG A 60 -4.797 5.273 -12.916 1.00 0.00 N ATOM 853 NH2 ARG A 60 -4.829 2.981 -12.820 1.00 0.00 N ATOM 0 H ARG A 60 1.526 3.612 -8.279 1.00 0.00 H new ATOM 0 HA ARG A 60 0.997 6.084 -9.732 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.934 3.806 -9.474 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.561 5.418 -9.197 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.242 5.902 -11.498 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.524 4.187 -11.720 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.829 5.887 -10.804 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.319 6.027 -12.475 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.637 3.247 -11.674 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.336 6.161 -12.716 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.699 5.263 -13.392 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.392 2.101 -12.546 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.731 2.976 -13.296 1.00 0.00 H new ATOM 867 N TYR A 61 0.608 7.116 -7.526 1.00 0.00 N ATOM 868 CA TYR A 61 0.466 7.747 -6.219 1.00 0.00 C ATOM 869 C TYR A 61 -0.694 8.737 -6.215 1.00 0.00 C ATOM 870 O TYR A 61 -0.653 9.762 -6.895 1.00 0.00 O ATOM 871 CB TYR A 61 1.762 8.461 -5.831 1.00 0.00 C ATOM 872 CG TYR A 61 1.633 9.316 -4.590 1.00 0.00 C ATOM 873 CD1 TYR A 61 1.775 8.764 -3.323 1.00 0.00 C ATOM 874 CD2 TYR A 61 1.371 10.678 -4.686 1.00 0.00 C ATOM 875 CE1 TYR A 61 1.658 9.541 -2.188 1.00 0.00 C ATOM 876 CE2 TYR A 61 1.254 11.463 -3.555 1.00 0.00 C ATOM 877 CZ TYR A 61 1.397 10.891 -2.309 1.00 0.00 C ATOM 878 OH TYR A 61 1.281 11.669 -1.180 1.00 0.00 O ATOM 0 H TYR A 61 0.881 7.753 -8.274 1.00 0.00 H new ATOM 0 HA TYR A 61 0.256 6.966 -5.488 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.543 7.718 -5.671 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.085 9.088 -6.662 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.981 7.708 -3.224 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.257 11.130 -5.660 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.770 9.095 -1.211 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.051 12.520 -3.647 1.00 0.00 H new ATOM 0 HH TYR A 61 1.663 11.192 -0.414 1.00 0.00 H new ATOM 888 N GLY A 62 -1.730 8.423 -5.443 1.00 0.00 N ATOM 889 CA GLY A 62 -2.887 9.294 -5.363 1.00 0.00 C ATOM 890 C GLY A 62 -3.690 9.078 -4.095 1.00 0.00 C ATOM 891 O GLY A 62 -3.282 8.318 -3.216 1.00 0.00 O ATOM 0 H GLY A 62 -1.788 7.580 -4.871 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.560 10.333 -5.409 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.527 9.123 -6.228 1.00 0.00 H new ATOM 895 N LEU A 63 -4.832 9.749 -3.999 1.00 0.00 N ATOM 896 CA LEU A 63 -5.694 9.628 -2.827 1.00 0.00 C ATOM 897 C LEU A 63 -6.566 8.381 -2.920 1.00 0.00 C ATOM 898 O LEU A 63 -7.069 8.040 -3.991 1.00 0.00 O ATOM 899 CB LEU A 63 -6.574 10.871 -2.687 1.00 0.00 C ATOM 900 CG LEU A 63 -5.937 12.069 -1.982 1.00 0.00 C ATOM 901 CD1 LEU A 63 -6.515 13.371 -2.514 1.00 0.00 C ATOM 902 CD2 LEU A 63 -6.136 11.971 -0.477 1.00 0.00 C ATOM 0 H LEU A 63 -5.183 10.382 -4.717 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.059 9.539 -1.946 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.886 11.185 -3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.477 10.593 -2.143 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.867 12.059 -2.188 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.050 14.212 -2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.319 13.446 -3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.591 13.390 -2.340 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.676 12.832 0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.202 11.954 -0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.673 11.056 -0.108 1.00 0.00 H new ATOM 914 N PHE A 64 -6.744 7.705 -1.790 1.00 0.00 N ATOM 915 CA PHE A 64 -7.558 6.495 -1.742 1.00 0.00 C ATOM 916 C PHE A 64 -8.149 6.291 -0.351 1.00 0.00 C ATOM 917 O PHE A 64 -7.520 6.581 0.667 1.00 0.00 O ATOM 918 CB PHE A 64 -6.721 5.276 -2.137 1.00 0.00 C ATOM 919 CG PHE A 64 -5.650 4.937 -1.140 1.00 0.00 C ATOM 920 CD1 PHE A 64 -4.420 5.573 -1.181 1.00 0.00 C ATOM 921 CD2 PHE A 64 -5.873 3.981 -0.162 1.00 0.00 C ATOM 922 CE1 PHE A 64 -3.432 5.263 -0.265 1.00 0.00 C ATOM 923 CE2 PHE A 64 -4.890 3.667 0.757 1.00 0.00 C ATOM 924 CZ PHE A 64 -3.667 4.308 0.705 1.00 0.00 C ATOM 0 H PHE A 64 -6.336 7.974 -0.895 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.377 6.610 -2.452 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -7.380 4.416 -2.257 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.259 5.461 -3.106 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.231 6.320 -1.938 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -6.826 3.475 -0.117 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.478 5.767 -0.308 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -5.077 2.921 1.515 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.897 4.063 1.421 1.00 0.00 H new ATOM 934 N PRO A 65 -9.389 5.782 -0.304 1.00 0.00 N ATOM 935 CA PRO A 65 -10.093 5.528 0.956 1.00 0.00 C ATOM 936 C PRO A 65 -9.482 4.370 1.739 1.00 0.00 C ATOM 937 O PRO A 65 -9.299 3.276 1.205 1.00 0.00 O ATOM 938 CB PRO A 65 -11.513 5.177 0.504 1.00 0.00 C ATOM 939 CG PRO A 65 -11.352 4.655 -0.882 1.00 0.00 C ATOM 940 CD PRO A 65 -10.198 5.413 -1.478 1.00 0.00 C ATOM 0 HA PRO A 65 -10.044 6.384 1.630 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.963 4.430 1.158 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.162 6.052 0.524 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.153 3.583 -0.875 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.261 4.807 -1.464 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.633 4.798 -2.178 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.535 6.293 -2.026 1.00 0.00 H new ATOM 948 N ALA A 66 -9.170 4.619 3.006 1.00 0.00 N ATOM 949 CA ALA A 66 -8.582 3.596 3.863 1.00 0.00 C ATOM 950 C ALA A 66 -9.604 2.520 4.214 1.00 0.00 C ATOM 951 O ALA A 66 -9.289 1.554 4.908 1.00 0.00 O ATOM 952 CB ALA A 66 -8.021 4.227 5.129 1.00 0.00 C ATOM 0 H ALA A 66 -9.314 5.520 3.462 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.768 3.122 3.315 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.585 3.452 5.760 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.253 4.954 4.864 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.823 4.728 5.672 1.00 0.00 H new ATOM 958 N ASN A 67 -10.829 2.694 3.730 1.00 0.00 N ATOM 959 CA ASN A 67 -11.898 1.737 3.994 1.00 0.00 C ATOM 960 C ASN A 67 -11.814 0.550 3.040 1.00 0.00 C ATOM 961 O ASN A 67 -12.012 -0.597 3.440 1.00 0.00 O ATOM 962 CB ASN A 67 -13.263 2.417 3.862 1.00 0.00 C ATOM 963 CG ASN A 67 -13.599 3.278 5.064 1.00 0.00 C ATOM 964 OD1 ASN A 67 -14.319 2.851 5.966 1.00 0.00 O ATOM 965 ND2 ASN A 67 -13.077 4.499 5.080 1.00 0.00 N ATOM 0 H ASN A 67 -11.107 3.488 3.153 1.00 0.00 H new ATOM 0 HA ASN A 67 -11.779 1.369 5.013 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -13.273 3.033 2.963 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -14.034 1.657 3.736 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.268 5.125 5.862 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -12.485 4.811 4.310 1.00 0.00 H new ATOM 972 N TYR A 68 -11.519 0.834 1.776 1.00 0.00 N ATOM 973 CA TYR A 68 -11.410 -0.210 0.764 1.00 0.00 C ATOM 974 C TYR A 68 -10.077 -0.942 0.877 1.00 0.00 C ATOM 975 O TYR A 68 -9.723 -1.749 0.018 1.00 0.00 O ATOM 976 CB TYR A 68 -11.557 0.391 -0.636 1.00 0.00 C ATOM 977 CG TYR A 68 -12.994 0.613 -1.051 1.00 0.00 C ATOM 978 CD1 TYR A 68 -13.702 1.722 -0.607 1.00 0.00 C ATOM 979 CD2 TYR A 68 -13.643 -0.286 -1.888 1.00 0.00 C ATOM 980 CE1 TYR A 68 -15.015 1.929 -0.983 1.00 0.00 C ATOM 981 CE2 TYR A 68 -14.955 -0.087 -2.271 1.00 0.00 C ATOM 982 CZ TYR A 68 -15.637 1.022 -1.816 1.00 0.00 C ATOM 983 OH TYR A 68 -16.945 1.224 -2.194 1.00 0.00 O ATOM 0 H TYR A 68 -11.351 1.778 1.428 1.00 0.00 H new ATOM 0 HA TYR A 68 -12.213 -0.928 0.931 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -11.026 1.342 -0.672 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -11.077 -0.269 -1.358 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -13.218 2.435 0.044 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -13.112 -1.156 -2.246 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -15.552 2.796 -0.627 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -15.444 -0.796 -2.923 1.00 0.00 H new ATOM 0 HH TYR A 68 -17.232 0.495 -2.782 1.00 0.00 H new ATOM 993 N VAL A 69 -9.341 -0.655 1.946 1.00 0.00 N ATOM 994 CA VAL A 69 -8.047 -1.287 2.176 1.00 0.00 C ATOM 995 C VAL A 69 -7.837 -1.588 3.655 1.00 0.00 C ATOM 996 O VAL A 69 -8.554 -1.071 4.511 1.00 0.00 O ATOM 997 CB VAL A 69 -6.892 -0.399 1.675 1.00 0.00 C ATOM 998 CG1 VAL A 69 -7.100 -0.026 0.215 1.00 0.00 C ATOM 999 CG2 VAL A 69 -6.765 0.847 2.539 1.00 0.00 C ATOM 0 H VAL A 69 -9.619 0.011 2.667 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.047 -2.222 1.615 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.963 -0.963 1.752 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.275 0.601 -0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.138 -0.932 -0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.037 0.520 0.109 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.944 1.463 2.171 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.694 1.416 2.495 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.566 0.556 3.570 1.00 0.00 H new ATOM 1009 N GLU A 70 -6.848 -2.427 3.948 1.00 0.00 N ATOM 1010 CA GLU A 70 -6.544 -2.797 5.326 1.00 0.00 C ATOM 1011 C GLU A 70 -5.036 -2.867 5.550 1.00 0.00 C ATOM 1012 O GLU A 70 -4.311 -3.494 4.777 1.00 0.00 O ATOM 1013 CB GLU A 70 -7.185 -4.143 5.669 1.00 0.00 C ATOM 1014 CG GLU A 70 -7.243 -4.427 7.161 1.00 0.00 C ATOM 1015 CD GLU A 70 -8.410 -3.737 7.841 1.00 0.00 C ATOM 1016 OE1 GLU A 70 -9.536 -4.273 7.773 1.00 0.00 O ATOM 1017 OE2 GLU A 70 -8.198 -2.663 8.440 1.00 0.00 O ATOM 0 H GLU A 70 -6.244 -2.863 3.251 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.956 -2.029 5.981 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.196 -4.168 5.263 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.625 -4.938 5.178 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.319 -5.503 7.320 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.312 -4.101 7.626 1.00 0.00 H new ATOM 1024 N LEU A 71 -4.572 -2.220 6.613 1.00 0.00 N ATOM 1025 CA LEU A 71 -3.150 -2.208 6.940 1.00 0.00 C ATOM 1026 C LEU A 71 -2.692 -3.578 7.430 1.00 0.00 C ATOM 1027 O LEU A 71 -3.310 -4.170 8.315 1.00 0.00 O ATOM 1028 CB LEU A 71 -2.861 -1.150 8.007 1.00 0.00 C ATOM 1029 CG LEU A 71 -3.147 0.299 7.611 1.00 0.00 C ATOM 1030 CD1 LEU A 71 -2.994 1.221 8.810 1.00 0.00 C ATOM 1031 CD2 LEU A 71 -2.227 0.734 6.480 1.00 0.00 C ATOM 0 H LEU A 71 -5.159 -1.697 7.263 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.596 -1.963 6.034 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.450 -1.386 8.893 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.812 -1.227 8.292 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.177 0.363 7.260 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.201 2.248 8.508 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.695 0.923 9.590 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.976 1.154 9.193 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.445 1.768 6.211 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.189 0.654 6.804 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.387 0.092 5.614 1.00 0.00 H new ATOM 1043 N ARG A 72 -1.605 -4.075 6.849 1.00 0.00 N ATOM 1044 CA ARG A 72 -1.064 -5.375 7.226 1.00 0.00 C ATOM 1045 C ARG A 72 -0.130 -5.248 8.426 1.00 0.00 C ATOM 1046 O ARG A 72 0.290 -4.147 8.783 1.00 0.00 O ATOM 1047 CB ARG A 72 -0.316 -6.002 6.048 1.00 0.00 C ATOM 1048 CG ARG A 72 -1.230 -6.497 4.940 1.00 0.00 C ATOM 1049 CD ARG A 72 -0.533 -7.520 4.058 1.00 0.00 C ATOM 1050 NE ARG A 72 -0.517 -8.847 4.667 1.00 0.00 N ATOM 1051 CZ ARG A 72 -1.605 -9.587 4.845 1.00 0.00 C ATOM 1052 NH1 ARG A 72 -2.790 -9.132 4.463 1.00 0.00 N ATOM 1053 NH2 ARG A 72 -1.509 -10.786 5.407 1.00 0.00 N ATOM 0 H ARG A 72 -1.082 -3.597 6.115 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.898 -6.021 7.503 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.376 -5.268 5.636 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.284 -6.836 6.412 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.125 -6.941 5.376 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.556 -5.653 4.332 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.037 -7.570 3.093 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.490 -7.197 3.867 1.00 0.00 H new ATOM 0 HE ARG A 72 0.379 -9.226 4.972 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.868 -8.211 4.031 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.624 -9.703 4.601 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.599 -11.139 5.702 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.345 -11.354 5.543 1.00 0.00 H new ATOM 1067 N GLN A 73 0.190 -6.380 9.044 1.00 0.00 N ATOM 1068 CA GLN A 73 1.074 -6.394 10.204 1.00 0.00 C ATOM 1069 C GLN A 73 0.591 -5.413 11.267 1.00 0.00 C ATOM 1070 O GLN A 73 1.371 -4.620 11.794 1.00 0.00 O ATOM 1071 CB GLN A 73 2.504 -6.048 9.786 1.00 0.00 C ATOM 1072 CG GLN A 73 3.169 -7.125 8.944 1.00 0.00 C ATOM 1073 CD GLN A 73 3.665 -8.293 9.774 1.00 0.00 C ATOM 1074 OE1 GLN A 73 3.073 -9.372 9.763 1.00 0.00 O ATOM 1075 NE2 GLN A 73 4.757 -8.082 10.500 1.00 0.00 N ATOM 0 H GLN A 73 -0.149 -7.299 8.761 1.00 0.00 H new ATOM 0 HA GLN A 73 1.060 -7.398 10.628 1.00 0.00 H new ATOM 0 HB2 GLN A 73 2.494 -5.114 9.224 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.103 -5.876 10.680 1.00 0.00 H new ATOM 0 HG2 GLN A 73 2.460 -7.488 8.200 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.007 -6.689 8.400 1.00 0.00 H new ATOM 0 HE21 GLN A 73 5.215 -7.171 10.479 1.00 0.00 H new ATOM 0 HE22 GLN A 73 5.137 -8.831 11.079 1.00 0.00 H new ATOM 1084 N SER A 74 -0.700 -5.473 11.578 1.00 0.00 N ATOM 1085 CA SER A 74 -1.288 -4.588 12.576 1.00 0.00 C ATOM 1086 C SER A 74 -2.135 -5.376 13.571 1.00 0.00 C ATOM 1087 O SER A 74 -3.101 -6.038 13.193 1.00 0.00 O ATOM 1088 CB SER A 74 -2.143 -3.516 11.897 1.00 0.00 C ATOM 1089 OG SER A 74 -2.936 -2.821 12.844 1.00 0.00 O ATOM 0 H SER A 74 -1.359 -6.126 11.153 1.00 0.00 H new ATOM 0 HA SER A 74 -0.476 -4.105 13.120 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.499 -2.812 11.371 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.787 -3.979 11.149 1.00 0.00 H new ATOM 0 HG SER A 74 -3.472 -2.141 12.385 1.00 0.00 H new ATOM 1095 N GLY A 75 -1.765 -5.299 14.845 1.00 0.00 N ATOM 1096 CA GLY A 75 -2.501 -6.010 15.875 1.00 0.00 C ATOM 1097 C GLY A 75 -1.907 -7.371 16.177 1.00 0.00 C ATOM 1098 O GLY A 75 -2.374 -8.399 15.686 1.00 0.00 O ATOM 0 H GLY A 75 -0.969 -4.758 15.183 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.514 -5.412 16.786 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.537 -6.131 15.559 1.00 0.00 H new ATOM 1102 N PRO A 76 -0.849 -7.390 17.002 1.00 0.00 N ATOM 1103 CA PRO A 76 -0.167 -8.629 17.386 1.00 0.00 C ATOM 1104 C PRO A 76 -1.020 -9.501 18.301 1.00 0.00 C ATOM 1105 O PRO A 76 -1.199 -10.693 18.049 1.00 0.00 O ATOM 1106 CB PRO A 76 1.077 -8.134 18.127 1.00 0.00 C ATOM 1107 CG PRO A 76 0.701 -6.788 18.642 1.00 0.00 C ATOM 1108 CD PRO A 76 -0.239 -6.203 17.624 1.00 0.00 C ATOM 0 HA PRO A 76 0.055 -9.256 16.523 1.00 0.00 H new ATOM 0 HB2 PRO A 76 1.347 -8.808 18.940 1.00 0.00 H new ATOM 0 HB3 PRO A 76 1.938 -8.077 17.461 1.00 0.00 H new ATOM 0 HG2 PRO A 76 0.222 -6.864 19.618 1.00 0.00 H new ATOM 0 HG3 PRO A 76 1.582 -6.158 18.767 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -0.989 -5.563 18.090 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.290 -5.593 16.892 1.00 0.00 H new ATOM 1116 N SER A 77 -1.545 -8.900 19.364 1.00 0.00 N ATOM 1117 CA SER A 77 -2.377 -9.623 20.318 1.00 0.00 C ATOM 1118 C SER A 77 -3.784 -9.828 19.766 1.00 0.00 C ATOM 1119 O SER A 77 -4.273 -9.027 18.969 1.00 0.00 O ATOM 1120 CB SER A 77 -2.444 -8.865 21.645 1.00 0.00 C ATOM 1121 OG SER A 77 -3.225 -7.689 21.523 1.00 0.00 O ATOM 0 H SER A 77 -1.409 -7.914 19.586 1.00 0.00 H new ATOM 0 HA SER A 77 -1.926 -10.601 20.488 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.870 -9.509 22.414 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.437 -8.604 21.969 1.00 0.00 H new ATOM 0 HG SER A 77 -3.253 -7.224 22.385 1.00 0.00 H new ATOM 1127 N SER A 78 -4.430 -10.908 20.195 1.00 0.00 N ATOM 1128 CA SER A 78 -5.780 -11.222 19.741 1.00 0.00 C ATOM 1129 C SER A 78 -5.870 -11.160 18.219 1.00 0.00 C ATOM 1130 O SER A 78 -6.845 -10.658 17.663 1.00 0.00 O ATOM 1131 CB SER A 78 -6.788 -10.253 20.362 1.00 0.00 C ATOM 1132 OG SER A 78 -8.118 -10.634 20.056 1.00 0.00 O ATOM 0 H SER A 78 -4.040 -11.580 20.856 1.00 0.00 H new ATOM 0 HA SER A 78 -6.017 -12.237 20.061 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.654 -10.227 21.443 1.00 0.00 H new ATOM 0 HB3 SER A 78 -6.602 -9.244 19.994 1.00 0.00 H new ATOM 0 HG SER A 78 -8.233 -10.668 19.083 1.00 0.00 H new ATOM 1138 N GLY A 79 -4.843 -11.677 17.551 1.00 0.00 N ATOM 1139 CA GLY A 79 -4.824 -11.671 16.100 1.00 0.00 C ATOM 1140 C GLY A 79 -4.501 -13.034 15.519 1.00 0.00 C ATOM 1141 O GLY A 79 -4.089 -13.942 16.241 1.00 0.00 O ATOM 0 H GLY A 79 -4.024 -12.100 17.989 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.794 -11.342 15.728 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.087 -10.947 15.752 1.00 0.00 H new TER 1145 GLY A 79