USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 564 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 48 LYS NZ :NH3+ -115:sc= 0.916 (180deg=-1.09) USER MOD Set 1.2: A 65 THR OG1 : rot 37:sc= 0.112 USER MOD Set 2.1: A 16 ASN :FLIP amide:sc= -0.248 F(o=-1.9,f=-0.094) USER MOD Set 2.2: A 23 THR OG1 : rot -71:sc= 0.154 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 36:sc= 0.424 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.144 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 31:sc= 0.522 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.353 F(o=-2.6!,f=-0.35) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot 78:sc= 0.63 USER MOD Single : A 21 SER OG : rot -55:sc= 0.0107 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 105:sc= 0.164 USER MOD Single : A 35 ASN : amide:sc= 0.45 K(o=0.45,f=-0.65) USER MOD Single : A 38 ASN : amide:sc= -4.82! C(o=-4.8!,f=-4.8!) USER MOD Single : A 39 SER OG : rot 100:sc= -0.998 USER MOD Single : A 42 SER OG : rot -32:sc= 0.716 USER MOD Single : A 45 CYS SG : rot -50:sc= -0.336 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -56:sc= -0.61 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 149:sc= -0.0453 (180deg=-0.383) USER MOD Single : A 57 THR OG1 : rot 140:sc= -0.812 USER MOD Single : A 62 GLN : amide:sc= 0.587 K(o=0.59,f=-0.74) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -1.28 K(o=-1.3,f=-3.9!) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 75 THR OG1 : rot 79:sc= 0.0261 USER MOD Single : A 77 SER OG : rot -97:sc= 1.16 USER MOD Single : A 78 LYS NZ :NH3+ 166:sc=-0.00843 (180deg=-0.133) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.483 33.504 -21.039 1.00 0.00 N ATOM 2 CA GLY A 1 4.362 32.439 -20.062 1.00 0.00 C ATOM 3 C GLY A 1 3.436 31.331 -20.523 1.00 0.00 C ATOM 4 O GLY A 1 2.329 31.182 -20.005 1.00 0.00 O ATOM 0 H1 GLY A 1 5.126 34.236 -20.676 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.862 33.119 -21.927 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.547 33.922 -21.215 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.349 32.023 -19.859 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.991 32.851 -19.124 1.00 0.00 H new ATOM 8 N SER A 2 3.888 30.552 -21.500 1.00 0.00 N ATOM 9 CA SER A 2 3.090 29.455 -22.035 1.00 0.00 C ATOM 10 C SER A 2 2.759 28.441 -20.944 1.00 0.00 C ATOM 11 O SER A 2 3.560 27.559 -20.637 1.00 0.00 O ATOM 12 CB SER A 2 3.835 28.765 -23.179 1.00 0.00 C ATOM 13 OG SER A 2 2.930 28.150 -24.079 1.00 0.00 O ATOM 0 H SER A 2 4.803 30.660 -21.938 1.00 0.00 H new ATOM 0 HA SER A 2 2.157 29.870 -22.416 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.444 29.494 -23.713 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.516 28.016 -22.774 1.00 0.00 H new ATOM 0 HG SER A 2 3.431 27.717 -24.802 1.00 0.00 H new ATOM 19 N SER A 3 1.572 28.576 -20.361 1.00 0.00 N ATOM 20 CA SER A 3 1.135 27.675 -19.301 1.00 0.00 C ATOM 21 C SER A 3 0.194 26.607 -19.849 1.00 0.00 C ATOM 22 O SER A 3 -0.886 26.914 -20.353 1.00 0.00 O ATOM 23 CB SER A 3 0.439 28.461 -18.188 1.00 0.00 C ATOM 24 OG SER A 3 -0.648 29.214 -18.699 1.00 0.00 O ATOM 0 H SER A 3 0.896 29.300 -20.605 1.00 0.00 H new ATOM 0 HA SER A 3 2.017 27.182 -18.891 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.081 27.773 -17.422 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.154 29.129 -17.708 1.00 0.00 H new ATOM 0 HG SER A 3 -1.088 28.709 -19.415 1.00 0.00 H new ATOM 30 N GLY A 4 0.612 25.349 -19.747 1.00 0.00 N ATOM 31 CA GLY A 4 -0.205 24.254 -20.237 1.00 0.00 C ATOM 32 C GLY A 4 0.076 22.952 -19.512 1.00 0.00 C ATOM 33 O GLY A 4 0.769 22.079 -20.036 1.00 0.00 O ATOM 0 H GLY A 4 1.501 25.069 -19.334 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.258 24.511 -20.122 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.025 24.119 -21.303 1.00 0.00 H new ATOM 37 N SER A 5 -0.461 22.822 -18.304 1.00 0.00 N ATOM 38 CA SER A 5 -0.260 21.619 -17.503 1.00 0.00 C ATOM 39 C SER A 5 -1.563 20.838 -17.361 1.00 0.00 C ATOM 40 O SER A 5 -2.651 21.414 -17.379 1.00 0.00 O ATOM 41 CB SER A 5 0.282 21.986 -16.121 1.00 0.00 C ATOM 42 OG SER A 5 -0.623 22.826 -15.424 1.00 0.00 O ATOM 0 H SER A 5 -1.039 23.534 -17.858 1.00 0.00 H new ATOM 0 HA SER A 5 0.467 20.988 -18.014 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.459 21.079 -15.544 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.243 22.489 -16.226 1.00 0.00 H new ATOM 0 HG SER A 5 -0.254 23.045 -14.543 1.00 0.00 H new ATOM 48 N SER A 6 -1.443 19.522 -17.218 1.00 0.00 N ATOM 49 CA SER A 6 -2.610 18.659 -17.076 1.00 0.00 C ATOM 50 C SER A 6 -3.228 18.805 -15.689 1.00 0.00 C ATOM 51 O SER A 6 -4.446 18.907 -15.547 1.00 0.00 O ATOM 52 CB SER A 6 -2.225 17.199 -17.324 1.00 0.00 C ATOM 53 OG SER A 6 -1.465 16.682 -16.246 1.00 0.00 O ATOM 0 H SER A 6 -0.550 19.030 -17.197 1.00 0.00 H new ATOM 0 HA SER A 6 -3.348 18.963 -17.818 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.126 16.600 -17.458 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.651 17.123 -18.247 1.00 0.00 H new ATOM 0 HG SER A 6 -1.233 15.747 -16.428 1.00 0.00 H new ATOM 59 N GLY A 7 -2.378 18.815 -14.667 1.00 0.00 N ATOM 60 CA GLY A 7 -2.857 18.949 -13.304 1.00 0.00 C ATOM 61 C GLY A 7 -3.522 17.685 -12.796 1.00 0.00 C ATOM 62 O GLY A 7 -4.361 17.099 -13.481 1.00 0.00 O ATOM 0 H GLY A 7 -1.365 18.733 -14.759 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.021 19.203 -12.652 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.566 19.775 -13.251 1.00 0.00 H new ATOM 66 N ARG A 8 -3.146 17.262 -11.594 1.00 0.00 N ATOM 67 CA ARG A 8 -3.710 16.058 -10.997 1.00 0.00 C ATOM 68 C ARG A 8 -3.585 16.095 -9.476 1.00 0.00 C ATOM 69 O ARG A 8 -2.895 16.950 -8.921 1.00 0.00 O ATOM 70 CB ARG A 8 -3.009 14.814 -11.546 1.00 0.00 C ATOM 71 CG ARG A 8 -3.520 14.379 -12.910 1.00 0.00 C ATOM 72 CD ARG A 8 -3.021 12.990 -13.275 1.00 0.00 C ATOM 73 NE ARG A 8 -3.041 12.762 -14.717 1.00 0.00 N ATOM 74 CZ ARG A 8 -4.126 12.389 -15.387 1.00 0.00 C ATOM 75 NH1 ARG A 8 -5.273 12.203 -14.748 1.00 0.00 N ATOM 76 NH2 ARG A 8 -4.065 12.202 -16.699 1.00 0.00 N ATOM 0 H ARG A 8 -2.453 17.735 -11.014 1.00 0.00 H new ATOM 0 HA ARG A 8 -4.768 16.016 -11.257 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.939 15.011 -11.614 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -3.138 13.993 -10.840 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -4.610 14.387 -12.911 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -3.195 15.094 -13.666 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.005 12.860 -12.902 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.640 12.241 -12.781 1.00 0.00 H new ATOM 0 HE ARG A 8 -2.175 12.896 -15.238 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -5.324 12.346 -13.739 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -6.104 11.917 -15.265 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -3.185 12.345 -17.194 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.898 11.916 -17.213 1.00 0.00 H new ATOM 90 N TYR A 9 -4.257 15.163 -8.810 1.00 0.00 N ATOM 91 CA TYR A 9 -4.224 15.091 -7.354 1.00 0.00 C ATOM 92 C TYR A 9 -4.186 13.641 -6.881 1.00 0.00 C ATOM 93 O TYR A 9 -4.855 12.765 -7.428 1.00 0.00 O ATOM 94 CB TYR A 9 -5.442 15.801 -6.759 1.00 0.00 C ATOM 95 CG TYR A 9 -5.373 17.308 -6.861 1.00 0.00 C ATOM 96 CD1 TYR A 9 -5.479 17.947 -8.090 1.00 0.00 C ATOM 97 CD2 TYR A 9 -5.203 18.093 -5.727 1.00 0.00 C ATOM 98 CE1 TYR A 9 -5.417 19.324 -8.187 1.00 0.00 C ATOM 99 CE2 TYR A 9 -5.141 19.471 -5.815 1.00 0.00 C ATOM 100 CZ TYR A 9 -5.247 20.081 -7.047 1.00 0.00 C ATOM 101 OH TYR A 9 -5.186 21.453 -7.139 1.00 0.00 O ATOM 0 H TYR A 9 -4.831 14.447 -9.255 1.00 0.00 H new ATOM 0 HA TYR A 9 -3.317 15.590 -7.012 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.340 15.451 -7.268 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -5.540 15.520 -5.710 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -5.612 17.357 -8.985 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.118 17.618 -4.761 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.501 19.805 -9.150 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.010 20.067 -4.924 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.065 21.836 -6.245 1.00 0.00 H new ATOM 111 N PRO A 10 -3.384 13.382 -5.838 1.00 0.00 N ATOM 112 CA PRO A 10 -3.238 12.040 -5.266 1.00 0.00 C ATOM 113 C PRO A 10 -4.497 11.580 -4.538 1.00 0.00 C ATOM 114 O PRO A 10 -4.616 10.416 -4.155 1.00 0.00 O ATOM 115 CB PRO A 10 -2.078 12.198 -4.280 1.00 0.00 C ATOM 116 CG PRO A 10 -2.088 13.641 -3.911 1.00 0.00 C ATOM 117 CD PRO A 10 -2.557 14.378 -5.136 1.00 0.00 C ATOM 0 HA PRO A 10 -3.062 11.287 -6.034 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.214 11.564 -3.404 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -1.130 11.912 -4.735 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -2.753 13.823 -3.067 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -1.094 13.974 -3.611 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.133 15.266 -4.875 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.720 14.710 -5.750 1.00 0.00 H new ATOM 125 N THR A 11 -5.436 12.503 -4.349 1.00 0.00 N ATOM 126 CA THR A 11 -6.686 12.193 -3.666 1.00 0.00 C ATOM 127 C THR A 11 -7.434 11.068 -4.373 1.00 0.00 C ATOM 128 O THR A 11 -7.814 11.197 -5.535 1.00 0.00 O ATOM 129 CB THR A 11 -7.601 13.428 -3.582 1.00 0.00 C ATOM 130 OG1 THR A 11 -7.908 13.902 -4.898 1.00 0.00 O ATOM 131 CG2 THR A 11 -6.939 14.538 -2.779 1.00 0.00 C ATOM 0 H THR A 11 -5.354 13.471 -4.660 1.00 0.00 H new ATOM 0 HA THR A 11 -6.424 11.874 -2.657 1.00 0.00 H new ATOM 0 HB THR A 11 -8.522 13.136 -3.078 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.921 13.147 -5.523 1.00 0.00 H new ATOM 0 HG21 THR A 11 -7.604 15.400 -2.733 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.734 14.184 -1.769 1.00 0.00 H new ATOM 0 HG23 THR A 11 -6.004 14.826 -3.259 1.00 0.00 H new ATOM 139 N ASN A 12 -7.642 9.964 -3.662 1.00 0.00 N ATOM 140 CA ASN A 12 -8.345 8.815 -4.222 1.00 0.00 C ATOM 141 C ASN A 12 -9.575 8.471 -3.387 1.00 0.00 C ATOM 142 O ASN A 12 -9.675 8.855 -2.223 1.00 0.00 O ATOM 143 CB ASN A 12 -7.411 7.606 -4.296 1.00 0.00 C ATOM 144 CG ASN A 12 -8.152 6.322 -4.617 1.00 0.00 C ATOM 145 OD1 ASN A 12 -8.894 6.327 -5.719 1.00 0.00 O flip ATOM 146 ND2 ASN A 12 -8.058 5.338 -3.884 1.00 0.00 N flip ATOM 0 H ASN A 12 -7.334 9.841 -2.697 1.00 0.00 H new ATOM 0 HA ASN A 12 -8.672 9.075 -5.229 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -6.651 7.784 -5.057 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -6.890 7.494 -3.345 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -7.476 5.379 -3.047 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -8.562 4.481 -4.113 1.00 0.00 H new ATOM 153 N ASN A 13 -10.509 7.745 -3.992 1.00 0.00 N ATOM 154 CA ASN A 13 -11.733 7.348 -3.305 1.00 0.00 C ATOM 155 C ASN A 13 -11.448 6.267 -2.267 1.00 0.00 C ATOM 156 O ASN A 13 -11.173 5.118 -2.612 1.00 0.00 O ATOM 157 CB ASN A 13 -12.768 6.843 -4.313 1.00 0.00 C ATOM 158 CG ASN A 13 -14.143 6.678 -3.696 1.00 0.00 C ATOM 159 OD1 ASN A 13 -14.494 5.601 -3.214 1.00 0.00 O ATOM 160 ND2 ASN A 13 -14.930 7.748 -3.709 1.00 0.00 N ATOM 0 H ASN A 13 -10.442 7.420 -4.956 1.00 0.00 H new ATOM 0 HA ASN A 13 -12.132 8.223 -2.792 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -12.829 7.541 -5.148 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -12.438 5.887 -4.720 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -15.867 7.697 -3.309 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -14.598 8.621 -4.119 1.00 0.00 H new ATOM 167 N PHE A 14 -11.518 6.644 -0.995 1.00 0.00 N ATOM 168 CA PHE A 14 -11.268 5.707 0.095 1.00 0.00 C ATOM 169 C PHE A 14 -12.206 4.507 0.006 1.00 0.00 C ATOM 170 O PHE A 14 -13.024 4.410 -0.908 1.00 0.00 O ATOM 171 CB PHE A 14 -11.439 6.405 1.445 1.00 0.00 C ATOM 172 CG PHE A 14 -12.873 6.670 1.805 1.00 0.00 C ATOM 173 CD1 PHE A 14 -13.589 7.668 1.163 1.00 0.00 C ATOM 174 CD2 PHE A 14 -13.506 5.921 2.784 1.00 0.00 C ATOM 175 CE1 PHE A 14 -14.908 7.914 1.493 1.00 0.00 C ATOM 176 CE2 PHE A 14 -14.825 6.163 3.118 1.00 0.00 C ATOM 177 CZ PHE A 14 -15.528 7.160 2.471 1.00 0.00 C ATOM 0 H PHE A 14 -11.746 7.591 -0.693 1.00 0.00 H new ATOM 0 HA PHE A 14 -10.242 5.350 0.007 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.985 5.791 2.223 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.896 7.350 1.428 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -13.111 8.260 0.397 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -12.962 5.139 3.292 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -15.454 8.696 0.986 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -15.306 5.573 3.884 1.00 0.00 H new ATOM 0 HZ PHE A 14 -16.559 7.350 2.729 1.00 0.00 H new ATOM 187 N GLY A 15 -12.081 3.593 0.964 1.00 0.00 N ATOM 188 CA GLY A 15 -12.922 2.411 0.977 1.00 0.00 C ATOM 189 C GLY A 15 -12.352 1.285 0.138 1.00 0.00 C ATOM 190 O GLY A 15 -12.553 0.110 0.446 1.00 0.00 O ATOM 0 H GLY A 15 -11.412 3.651 1.732 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -13.045 2.068 2.004 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -13.914 2.670 0.606 1.00 0.00 H new ATOM 194 N ASN A 16 -11.640 1.642 -0.925 1.00 0.00 N ATOM 195 CA ASN A 16 -11.041 0.652 -1.812 1.00 0.00 C ATOM 196 C ASN A 16 -9.541 0.888 -1.957 1.00 0.00 C ATOM 197 O ASN A 16 -9.068 2.021 -1.863 1.00 0.00 O ATOM 198 CB ASN A 16 -11.711 0.697 -3.187 1.00 0.00 C ATOM 199 CG ASN A 16 -13.193 1.007 -3.099 1.00 0.00 C ATOM 200 OD1 ASN A 16 -13.906 0.254 -2.270 1.00 0.00 O flip ATOM 201 ND2 ASN A 16 -13.689 1.913 -3.768 1.00 0.00 N flip ATOM 0 H ASN A 16 -11.464 2.610 -1.193 1.00 0.00 H new ATOM 0 HA ASN A 16 -11.195 -0.333 -1.372 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.221 1.451 -3.802 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -11.572 -0.262 -3.687 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -13.102 2.466 -4.392 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -14.687 2.111 -3.698 1.00 0.00 H new ATOM 208 N CYS A 17 -8.797 -0.189 -2.187 1.00 0.00 N ATOM 209 CA CYS A 17 -7.351 -0.101 -2.345 1.00 0.00 C ATOM 210 C CYS A 17 -6.965 1.148 -3.133 1.00 0.00 C ATOM 211 O CYS A 17 -7.693 1.583 -4.026 1.00 0.00 O ATOM 212 CB CYS A 17 -6.817 -1.348 -3.053 1.00 0.00 C ATOM 213 SG CYS A 17 -5.018 -1.328 -3.338 1.00 0.00 S ATOM 0 H CYS A 17 -9.173 -1.134 -2.268 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.906 -0.036 -1.352 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.070 -2.226 -2.459 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.325 -1.454 -4.012 1.00 0.00 H new ATOM 218 N THR A 18 -5.814 1.721 -2.796 1.00 0.00 N ATOM 219 CA THR A 18 -5.331 2.920 -3.470 1.00 0.00 C ATOM 220 C THR A 18 -4.304 2.573 -4.541 1.00 0.00 C ATOM 221 O THR A 18 -3.447 3.387 -4.881 1.00 0.00 O ATOM 222 CB THR A 18 -4.700 3.910 -2.472 1.00 0.00 C ATOM 223 OG1 THR A 18 -5.546 4.055 -1.326 1.00 0.00 O ATOM 224 CG2 THR A 18 -4.480 5.267 -3.122 1.00 0.00 C ATOM 0 H THR A 18 -5.199 1.374 -2.060 1.00 0.00 H new ATOM 0 HA THR A 18 -6.196 3.389 -3.938 1.00 0.00 H new ATOM 0 HB THR A 18 -3.733 3.513 -2.162 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.437 3.278 -0.739 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.034 5.949 -2.398 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.812 5.157 -3.977 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.436 5.669 -3.458 1.00 0.00 H new ATOM 232 N GLY A 19 -4.396 1.356 -5.071 1.00 0.00 N ATOM 233 CA GLY A 19 -3.469 0.923 -6.099 1.00 0.00 C ATOM 234 C GLY A 19 -4.167 0.243 -7.261 1.00 0.00 C ATOM 235 O GLY A 19 -3.921 0.572 -8.421 1.00 0.00 O ATOM 0 H GLY A 19 -5.096 0.663 -4.806 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.912 1.784 -6.468 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.743 0.237 -5.663 1.00 0.00 H new ATOM 239 N CYS A 20 -5.039 -0.709 -6.949 1.00 0.00 N ATOM 240 CA CYS A 20 -5.774 -1.440 -7.974 1.00 0.00 C ATOM 241 C CYS A 20 -7.260 -1.093 -7.930 1.00 0.00 C ATOM 242 O CYS A 20 -7.997 -1.352 -8.881 1.00 0.00 O ATOM 243 CB CYS A 20 -5.585 -2.947 -7.791 1.00 0.00 C ATOM 244 SG CYS A 20 -6.132 -3.573 -6.170 1.00 0.00 S ATOM 0 H CYS A 20 -5.254 -0.993 -5.993 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.379 -1.147 -8.947 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -6.134 -3.469 -8.574 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.531 -3.189 -7.925 1.00 0.00 H new ATOM 249 N SER A 21 -7.692 -0.505 -6.819 1.00 0.00 N ATOM 250 CA SER A 21 -9.089 -0.126 -6.648 1.00 0.00 C ATOM 251 C SER A 21 -9.956 -1.352 -6.377 1.00 0.00 C ATOM 252 O SER A 21 -11.096 -1.433 -6.833 1.00 0.00 O ATOM 253 CB SER A 21 -9.596 0.605 -7.893 1.00 0.00 C ATOM 254 OG SER A 21 -10.717 1.417 -7.586 1.00 0.00 O ATOM 0 H SER A 21 -7.094 -0.281 -6.024 1.00 0.00 H new ATOM 0 HA SER A 21 -9.156 0.542 -5.789 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.798 1.222 -8.307 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.868 -0.121 -8.660 1.00 0.00 H new ATOM 0 HG SER A 21 -11.411 0.870 -7.162 1.00 0.00 H new ATOM 260 N ALA A 22 -9.405 -2.304 -5.631 1.00 0.00 N ATOM 261 CA ALA A 22 -10.127 -3.526 -5.296 1.00 0.00 C ATOM 262 C ALA A 22 -10.813 -3.403 -3.940 1.00 0.00 C ATOM 263 O ALA A 22 -10.155 -3.376 -2.899 1.00 0.00 O ATOM 264 CB ALA A 22 -9.181 -4.717 -5.306 1.00 0.00 C ATOM 0 H ALA A 22 -8.461 -2.253 -5.247 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.898 -3.683 -6.051 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.733 -5.622 -5.054 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.741 -4.824 -6.298 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.390 -4.559 -4.573 1.00 0.00 H new ATOM 270 N THR A 23 -12.140 -3.330 -3.957 1.00 0.00 N ATOM 271 CA THR A 23 -12.916 -3.209 -2.729 1.00 0.00 C ATOM 272 C THR A 23 -12.660 -4.389 -1.799 1.00 0.00 C ATOM 273 O THR A 23 -12.361 -5.495 -2.250 1.00 0.00 O ATOM 274 CB THR A 23 -14.425 -3.119 -3.024 1.00 0.00 C ATOM 275 OG1 THR A 23 -14.665 -2.166 -4.065 1.00 0.00 O ATOM 276 CG2 THR A 23 -15.197 -2.720 -1.776 1.00 0.00 C ATOM 0 H THR A 23 -12.700 -3.353 -4.809 1.00 0.00 H new ATOM 0 HA THR A 23 -12.594 -2.289 -2.241 1.00 0.00 H new ATOM 0 HB THR A 23 -14.769 -4.102 -3.346 1.00 0.00 H new ATOM 0 HG1 THR A 23 -14.502 -1.262 -3.725 1.00 0.00 H new ATOM 0 HG21 THR A 23 -16.260 -2.663 -2.009 1.00 0.00 H new ATOM 0 HG22 THR A 23 -15.036 -3.463 -0.995 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.849 -1.747 -1.428 1.00 0.00 H new ATOM 284 N PHE A 24 -12.781 -4.148 -0.498 1.00 0.00 N ATOM 285 CA PHE A 24 -12.563 -5.192 0.497 1.00 0.00 C ATOM 286 C PHE A 24 -13.886 -5.655 1.099 1.00 0.00 C ATOM 287 O PHE A 24 -14.739 -4.840 1.452 1.00 0.00 O ATOM 288 CB PHE A 24 -11.635 -4.686 1.603 1.00 0.00 C ATOM 289 CG PHE A 24 -10.572 -3.746 1.111 1.00 0.00 C ATOM 290 CD1 PHE A 24 -10.848 -2.399 0.934 1.00 0.00 C ATOM 291 CD2 PHE A 24 -9.297 -4.208 0.827 1.00 0.00 C ATOM 292 CE1 PHE A 24 -9.872 -1.532 0.480 1.00 0.00 C ATOM 293 CE2 PHE A 24 -8.317 -3.345 0.374 1.00 0.00 C ATOM 294 CZ PHE A 24 -8.604 -2.005 0.201 1.00 0.00 C ATOM 0 H PHE A 24 -13.029 -3.239 -0.108 1.00 0.00 H new ATOM 0 HA PHE A 24 -12.094 -6.041 -0.001 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -12.231 -4.182 2.364 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -11.159 -5.540 2.085 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -11.836 -2.023 1.153 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -9.066 -5.255 0.961 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -10.100 -0.485 0.343 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.327 -3.718 0.155 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.839 -1.329 -0.151 1.00 0.00 H new ATOM 304 N SER A 25 -14.050 -6.969 1.213 1.00 0.00 N ATOM 305 CA SER A 25 -15.271 -7.542 1.768 1.00 0.00 C ATOM 306 C SER A 25 -14.947 -8.564 2.852 1.00 0.00 C ATOM 307 O SER A 25 -15.229 -8.347 4.031 1.00 0.00 O ATOM 308 CB SER A 25 -16.099 -8.199 0.662 1.00 0.00 C ATOM 309 OG SER A 25 -17.438 -8.403 1.080 1.00 0.00 O ATOM 0 H SER A 25 -13.353 -7.657 0.928 1.00 0.00 H new ATOM 0 HA SER A 25 -15.851 -6.735 2.216 1.00 0.00 H new ATOM 0 HB2 SER A 25 -16.085 -7.571 -0.229 1.00 0.00 H new ATOM 0 HB3 SER A 25 -15.651 -9.154 0.387 1.00 0.00 H new ATOM 0 HG SER A 25 -17.947 -8.822 0.355 1.00 0.00 H new ATOM 315 N VAL A 26 -14.352 -9.681 2.445 1.00 0.00 N ATOM 316 CA VAL A 26 -13.987 -10.738 3.381 1.00 0.00 C ATOM 317 C VAL A 26 -12.539 -11.170 3.185 1.00 0.00 C ATOM 318 O VAL A 26 -11.683 -10.916 4.034 1.00 0.00 O ATOM 319 CB VAL A 26 -14.904 -11.966 3.225 1.00 0.00 C ATOM 320 CG1 VAL A 26 -14.468 -13.080 4.165 1.00 0.00 C ATOM 321 CG2 VAL A 26 -16.354 -11.583 3.476 1.00 0.00 C ATOM 0 H VAL A 26 -14.112 -9.877 1.473 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.108 -10.329 4.384 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.821 -12.333 2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -15.127 -13.939 4.041 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.444 -13.372 3.933 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.520 -12.728 5.195 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -16.988 -12.462 3.362 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -16.457 -11.191 4.488 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -16.658 -10.821 2.759 1.00 0.00 H new ATOM 331 N LEU A 27 -12.270 -11.825 2.061 1.00 0.00 N ATOM 332 CA LEU A 27 -10.923 -12.294 1.752 1.00 0.00 C ATOM 333 C LEU A 27 -9.921 -11.145 1.809 1.00 0.00 C ATOM 334 O LEU A 27 -9.057 -11.103 2.686 1.00 0.00 O ATOM 335 CB LEU A 27 -10.893 -12.943 0.367 1.00 0.00 C ATOM 336 CG LEU A 27 -11.328 -14.408 0.304 1.00 0.00 C ATOM 337 CD1 LEU A 27 -12.840 -14.522 0.419 1.00 0.00 C ATOM 338 CD2 LEU A 27 -10.839 -15.054 -0.984 1.00 0.00 C ATOM 0 H LEU A 27 -12.966 -12.044 1.348 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.642 -13.035 2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.535 -12.365 -0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.879 -12.868 -0.026 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.880 -14.937 1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.130 -15.572 0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -13.166 -14.097 1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.309 -13.979 -0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -11.157 -16.096 -1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.258 -14.523 -1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.751 -15.006 -1.025 1.00 0.00 H new ATOM 350 N LYS A 28 -10.042 -10.214 0.869 1.00 0.00 N ATOM 351 CA LYS A 28 -9.150 -9.062 0.813 1.00 0.00 C ATOM 352 C LYS A 28 -9.256 -8.229 2.087 1.00 0.00 C ATOM 353 O LYS A 28 -10.351 -7.852 2.505 1.00 0.00 O ATOM 354 CB LYS A 28 -9.478 -8.195 -0.405 1.00 0.00 C ATOM 355 CG LYS A 28 -8.277 -7.453 -0.964 1.00 0.00 C ATOM 356 CD LYS A 28 -8.411 -7.225 -2.461 1.00 0.00 C ATOM 357 CE LYS A 28 -8.153 -8.502 -3.245 1.00 0.00 C ATOM 358 NZ LYS A 28 -8.234 -8.277 -4.715 1.00 0.00 N ATOM 0 H LYS A 28 -10.750 -10.235 0.135 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.128 -9.430 0.724 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.901 -8.826 -1.187 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.246 -7.472 -0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.172 -6.494 -0.457 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.370 -8.022 -0.761 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.411 -6.855 -2.686 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.708 -6.455 -2.777 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.167 -8.891 -2.991 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.880 -9.260 -2.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.052 -9.171 -5.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.183 -7.930 -4.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.523 -7.572 -4.998 1.00 0.00 H new ATOM 372 N LYS A 29 -8.112 -7.944 2.699 1.00 0.00 N ATOM 373 CA LYS A 29 -8.075 -7.153 3.923 1.00 0.00 C ATOM 374 C LYS A 29 -7.406 -5.804 3.679 1.00 0.00 C ATOM 375 O LYS A 29 -6.311 -5.735 3.121 1.00 0.00 O ATOM 376 CB LYS A 29 -7.330 -7.912 5.023 1.00 0.00 C ATOM 377 CG LYS A 29 -7.906 -9.288 5.309 1.00 0.00 C ATOM 378 CD LYS A 29 -6.920 -10.157 6.072 1.00 0.00 C ATOM 379 CE LYS A 29 -7.283 -11.631 5.971 1.00 0.00 C ATOM 380 NZ LYS A 29 -8.323 -12.015 6.965 1.00 0.00 N ATOM 0 H LYS A 29 -7.197 -8.249 2.367 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.102 -6.977 4.243 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.284 -8.018 4.735 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.351 -7.321 5.939 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.825 -9.186 5.886 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.171 -9.775 4.371 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.915 -10.001 5.679 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.903 -9.856 7.120 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.644 -11.848 4.966 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.390 -12.236 6.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.543 -13.026 6.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.970 -11.832 7.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.184 -11.455 6.800 1.00 0.00 H new ATOM 394 N ARG A 30 -8.071 -4.734 4.103 1.00 0.00 N ATOM 395 CA ARG A 30 -7.540 -3.387 3.930 1.00 0.00 C ATOM 396 C ARG A 30 -6.298 -3.177 4.792 1.00 0.00 C ATOM 397 O ARG A 30 -6.398 -2.951 5.998 1.00 0.00 O ATOM 398 CB ARG A 30 -8.603 -2.347 4.288 1.00 0.00 C ATOM 399 CG ARG A 30 -8.314 -0.963 3.730 1.00 0.00 C ATOM 400 CD ARG A 30 -9.594 -0.172 3.511 1.00 0.00 C ATOM 401 NE ARG A 30 -9.348 1.268 3.474 1.00 0.00 N ATOM 402 CZ ARG A 30 -9.381 2.047 4.549 1.00 0.00 C ATOM 403 NH1 ARG A 30 -9.648 1.529 5.740 1.00 0.00 N ATOM 404 NH2 ARG A 30 -9.146 3.348 4.434 1.00 0.00 N ATOM 0 H ARG A 30 -8.978 -4.774 4.568 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.260 -3.266 2.884 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.570 -2.685 3.915 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.685 -2.282 5.373 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.663 -0.421 4.417 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.776 -1.055 2.787 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.058 -0.485 2.576 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.301 -0.399 4.309 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.140 1.698 2.573 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.829 0.529 5.832 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.673 2.130 6.564 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.940 3.750 3.520 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.172 3.946 5.260 1.00 0.00 H new ATOM 418 N ARG A 31 -5.129 -3.255 4.165 1.00 0.00 N ATOM 419 CA ARG A 31 -3.868 -3.076 4.874 1.00 0.00 C ATOM 420 C ARG A 31 -3.497 -1.599 4.959 1.00 0.00 C ATOM 421 O ARG A 31 -4.255 -0.732 4.523 1.00 0.00 O ATOM 422 CB ARG A 31 -2.751 -3.855 4.176 1.00 0.00 C ATOM 423 CG ARG A 31 -2.722 -5.331 4.535 1.00 0.00 C ATOM 424 CD ARG A 31 -2.078 -6.159 3.434 1.00 0.00 C ATOM 425 NE ARG A 31 -0.620 -6.105 3.489 1.00 0.00 N ATOM 426 CZ ARG A 31 0.098 -6.633 4.475 1.00 0.00 C ATOM 427 NH1 ARG A 31 -0.505 -7.251 5.481 1.00 0.00 N ATOM 428 NH2 ARG A 31 1.422 -6.543 4.455 1.00 0.00 N ATOM 0 H ARG A 31 -5.029 -3.441 3.167 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.991 -3.460 5.887 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.869 -3.754 3.097 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.791 -3.408 4.435 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.171 -5.470 5.465 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.738 -5.684 4.710 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.406 -7.195 3.521 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.418 -5.798 2.463 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.126 -5.637 2.730 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.522 -7.322 5.500 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.048 -7.655 6.236 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.889 -6.068 3.683 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.972 -6.948 5.212 1.00 0.00 H new ATOM 442 N SER A 32 -2.326 -1.319 5.522 1.00 0.00 N ATOM 443 CA SER A 32 -1.856 0.053 5.668 1.00 0.00 C ATOM 444 C SER A 32 -0.373 0.159 5.324 1.00 0.00 C ATOM 445 O SER A 32 0.463 -0.525 5.914 1.00 0.00 O ATOM 446 CB SER A 32 -2.097 0.548 7.096 1.00 0.00 C ATOM 447 OG SER A 32 -3.479 0.557 7.406 1.00 0.00 O ATOM 0 H SER A 32 -1.685 -2.025 5.885 1.00 0.00 H new ATOM 0 HA SER A 32 -2.418 0.679 4.975 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.567 -0.093 7.801 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.689 1.552 7.210 1.00 0.00 H new ATOM 0 HG SER A 32 -3.606 0.876 8.324 1.00 0.00 H new ATOM 453 N CYS A 33 -0.055 1.022 4.366 1.00 0.00 N ATOM 454 CA CYS A 33 1.325 1.220 3.941 1.00 0.00 C ATOM 455 C CYS A 33 2.184 1.722 5.098 1.00 0.00 C ATOM 456 O CYS A 33 1.665 2.167 6.122 1.00 0.00 O ATOM 457 CB CYS A 33 1.386 2.212 2.778 1.00 0.00 C ATOM 458 SG CYS A 33 3.015 2.310 1.968 1.00 0.00 S ATOM 0 H CYS A 33 -0.735 1.596 3.868 1.00 0.00 H new ATOM 0 HA CYS A 33 1.718 0.259 3.610 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.639 1.931 2.035 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.114 3.202 3.144 1.00 0.00 H new ATOM 463 N SER A 34 3.500 1.648 4.927 1.00 0.00 N ATOM 464 CA SER A 34 4.431 2.092 5.957 1.00 0.00 C ATOM 465 C SER A 34 5.052 3.435 5.587 1.00 0.00 C ATOM 466 O SER A 34 5.450 4.208 6.457 1.00 0.00 O ATOM 467 CB SER A 34 5.531 1.049 6.164 1.00 0.00 C ATOM 468 OG SER A 34 5.083 -0.007 6.996 1.00 0.00 O ATOM 0 H SER A 34 3.945 1.285 4.084 1.00 0.00 H new ATOM 0 HA SER A 34 3.874 2.213 6.886 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.843 0.649 5.199 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.406 1.522 6.611 1.00 0.00 H new ATOM 0 HG SER A 34 4.902 -0.800 6.449 1.00 0.00 H new ATOM 474 N ASN A 35 5.130 3.705 4.288 1.00 0.00 N ATOM 475 CA ASN A 35 5.703 4.955 3.800 1.00 0.00 C ATOM 476 C ASN A 35 4.625 6.023 3.644 1.00 0.00 C ATOM 477 O ASN A 35 4.525 6.944 4.455 1.00 0.00 O ATOM 478 CB ASN A 35 6.410 4.729 2.462 1.00 0.00 C ATOM 479 CG ASN A 35 6.934 6.018 1.860 1.00 0.00 C ATOM 480 OD1 ASN A 35 7.538 6.838 2.552 1.00 0.00 O ATOM 481 ND2 ASN A 35 6.705 6.202 0.565 1.00 0.00 N ATOM 0 H ASN A 35 4.804 3.076 3.554 1.00 0.00 H new ATOM 0 HA ASN A 35 6.431 5.302 4.533 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.238 4.035 2.605 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.718 4.260 1.763 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.034 7.050 0.104 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.200 5.495 0.031 1.00 0.00 H new ATOM 488 N CYS A 36 3.818 5.893 2.596 1.00 0.00 N ATOM 489 CA CYS A 36 2.746 6.846 2.332 1.00 0.00 C ATOM 490 C CYS A 36 1.654 6.743 3.393 1.00 0.00 C ATOM 491 O CYS A 36 0.994 7.730 3.717 1.00 0.00 O ATOM 492 CB CYS A 36 2.149 6.602 0.945 1.00 0.00 C ATOM 493 SG CYS A 36 1.062 5.144 0.849 1.00 0.00 S ATOM 0 H CYS A 36 3.886 5.136 1.915 1.00 0.00 H new ATOM 0 HA CYS A 36 3.169 7.850 2.367 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.583 7.484 0.645 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.961 6.484 0.227 1.00 0.00 H new ATOM 498 N GLY A 37 1.470 5.541 3.931 1.00 0.00 N ATOM 499 CA GLY A 37 0.458 5.332 4.950 1.00 0.00 C ATOM 500 C GLY A 37 -0.947 5.343 4.381 1.00 0.00 C ATOM 501 O GLY A 37 -1.866 5.890 4.990 1.00 0.00 O ATOM 0 H GLY A 37 2.003 4.709 3.679 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.638 4.379 5.447 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.545 6.109 5.710 1.00 0.00 H new ATOM 505 N ASN A 38 -1.115 4.738 3.210 1.00 0.00 N ATOM 506 CA ASN A 38 -2.418 4.682 2.558 1.00 0.00 C ATOM 507 C ASN A 38 -3.030 3.290 2.683 1.00 0.00 C ATOM 508 O ASN A 38 -2.415 2.378 3.235 1.00 0.00 O ATOM 509 CB ASN A 38 -2.290 5.064 1.082 1.00 0.00 C ATOM 510 CG ASN A 38 -1.624 6.413 0.890 1.00 0.00 C ATOM 511 OD1 ASN A 38 -1.584 7.234 1.806 1.00 0.00 O ATOM 512 ND2 ASN A 38 -1.097 6.648 -0.306 1.00 0.00 N ATOM 0 H ASN A 38 -0.365 4.279 2.693 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.076 5.395 3.055 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -1.714 4.300 0.560 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.280 5.083 0.627 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -0.636 7.538 -0.494 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -1.153 5.938 -1.036 1.00 0.00 H new ATOM 519 N SER A 39 -4.244 3.134 2.165 1.00 0.00 N ATOM 520 CA SER A 39 -4.941 1.855 2.221 1.00 0.00 C ATOM 521 C SER A 39 -4.662 1.029 0.969 1.00 0.00 C ATOM 522 O SER A 39 -4.767 1.526 -0.152 1.00 0.00 O ATOM 523 CB SER A 39 -6.447 2.076 2.375 1.00 0.00 C ATOM 524 OG SER A 39 -6.725 2.969 3.440 1.00 0.00 O ATOM 0 H SER A 39 -4.765 3.878 1.702 1.00 0.00 H new ATOM 0 HA SER A 39 -4.572 1.306 3.087 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.856 2.474 1.446 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.941 1.122 2.558 1.00 0.00 H new ATOM 0 HG SER A 39 -6.901 3.863 3.080 1.00 0.00 H new ATOM 530 N PHE A 40 -4.307 -0.236 1.169 1.00 0.00 N ATOM 531 CA PHE A 40 -4.012 -1.132 0.057 1.00 0.00 C ATOM 532 C PHE A 40 -4.453 -2.558 0.376 1.00 0.00 C ATOM 533 O PHE A 40 -4.753 -2.885 1.524 1.00 0.00 O ATOM 534 CB PHE A 40 -2.515 -1.108 -0.261 1.00 0.00 C ATOM 535 CG PHE A 40 -2.018 0.239 -0.703 1.00 0.00 C ATOM 536 CD1 PHE A 40 -2.270 0.699 -1.985 1.00 0.00 C ATOM 537 CD2 PHE A 40 -1.298 1.045 0.165 1.00 0.00 C ATOM 538 CE1 PHE A 40 -1.814 1.938 -2.395 1.00 0.00 C ATOM 539 CE2 PHE A 40 -0.840 2.285 -0.239 1.00 0.00 C ATOM 540 CZ PHE A 40 -1.097 2.731 -1.521 1.00 0.00 C ATOM 0 H PHE A 40 -4.217 -0.664 2.091 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.567 -0.785 -0.814 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.959 -1.420 0.623 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -2.306 -1.838 -1.043 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.830 0.082 -2.673 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.093 0.700 1.168 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -2.018 2.285 -3.397 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.282 2.905 0.447 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.738 3.698 -1.839 1.00 0.00 H new ATOM 550 N CYS A 41 -4.489 -3.402 -0.649 1.00 0.00 N ATOM 551 CA CYS A 41 -4.894 -4.792 -0.481 1.00 0.00 C ATOM 552 C CYS A 41 -3.712 -5.654 -0.046 1.00 0.00 C ATOM 553 O CYS A 41 -2.614 -5.149 0.186 1.00 0.00 O ATOM 554 CB CYS A 41 -5.483 -5.335 -1.785 1.00 0.00 C ATOM 555 SG CYS A 41 -4.339 -5.269 -3.201 1.00 0.00 S ATOM 0 H CYS A 41 -4.242 -3.147 -1.605 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.656 -4.831 0.298 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.792 -6.369 -1.629 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.381 -4.767 -2.030 1.00 0.00 H new ATOM 560 N SER A 42 -3.946 -6.958 0.062 1.00 0.00 N ATOM 561 CA SER A 42 -2.902 -7.890 0.472 1.00 0.00 C ATOM 562 C SER A 42 -2.047 -8.307 -0.720 1.00 0.00 C ATOM 563 O SER A 42 -1.248 -9.240 -0.629 1.00 0.00 O ATOM 564 CB SER A 42 -3.522 -9.127 1.127 1.00 0.00 C ATOM 565 OG SER A 42 -2.522 -9.975 1.664 1.00 0.00 O ATOM 0 H SER A 42 -4.849 -7.393 -0.129 1.00 0.00 H new ATOM 0 HA SER A 42 -2.263 -7.385 1.196 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.206 -8.819 1.918 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.111 -9.675 0.392 1.00 0.00 H new ATOM 0 HG SER A 42 -1.714 -9.917 1.113 1.00 0.00 H new ATOM 571 N ARG A 43 -2.220 -7.609 -1.837 1.00 0.00 N ATOM 572 CA ARG A 43 -1.465 -7.906 -3.049 1.00 0.00 C ATOM 573 C ARG A 43 -0.623 -6.706 -3.473 1.00 0.00 C ATOM 574 O ARG A 43 0.418 -6.860 -4.112 1.00 0.00 O ATOM 575 CB ARG A 43 -2.414 -8.303 -4.182 1.00 0.00 C ATOM 576 CG ARG A 43 -2.739 -9.787 -4.212 1.00 0.00 C ATOM 577 CD ARG A 43 -3.692 -10.171 -3.090 1.00 0.00 C ATOM 578 NE ARG A 43 -4.073 -11.579 -3.154 1.00 0.00 N ATOM 579 CZ ARG A 43 -3.312 -12.568 -2.699 1.00 0.00 C ATOM 580 NH1 ARG A 43 -2.134 -12.304 -2.150 1.00 0.00 N ATOM 581 NH2 ARG A 43 -3.728 -13.825 -2.793 1.00 0.00 N ATOM 0 H ARG A 43 -2.876 -6.834 -1.928 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.796 -8.740 -2.835 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.341 -7.739 -4.083 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.968 -8.018 -5.135 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.184 -10.044 -5.173 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.819 -10.364 -4.123 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.221 -9.966 -2.128 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.586 -9.550 -3.146 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.973 -11.816 -3.571 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.810 -11.340 -2.076 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.552 -13.065 -1.801 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.633 -14.032 -3.215 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.143 -14.583 -2.443 1.00 0.00 H new ATOM 595 N CYS A 44 -1.081 -5.512 -3.113 1.00 0.00 N ATOM 596 CA CYS A 44 -0.371 -4.285 -3.457 1.00 0.00 C ATOM 597 C CYS A 44 0.633 -3.915 -2.369 1.00 0.00 C ATOM 598 O CYS A 44 1.714 -3.400 -2.657 1.00 0.00 O ATOM 599 CB CYS A 44 -1.363 -3.138 -3.662 1.00 0.00 C ATOM 600 SG CYS A 44 -2.287 -3.226 -5.230 1.00 0.00 S ATOM 0 H CYS A 44 -1.941 -5.367 -2.583 1.00 0.00 H new ATOM 0 HA CYS A 44 0.173 -4.457 -4.386 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.072 -3.133 -2.834 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.822 -2.193 -3.624 1.00 0.00 H new ATOM 605 N CYS A 45 0.268 -4.181 -1.120 1.00 0.00 N ATOM 606 CA CYS A 45 1.137 -3.876 0.012 1.00 0.00 C ATOM 607 C CYS A 45 1.950 -5.101 0.419 1.00 0.00 C ATOM 608 O CYS A 45 2.082 -5.404 1.605 1.00 0.00 O ATOM 609 CB CYS A 45 0.308 -3.381 1.198 1.00 0.00 C ATOM 610 SG CYS A 45 1.295 -2.774 2.586 1.00 0.00 S ATOM 0 H CYS A 45 -0.623 -4.607 -0.865 1.00 0.00 H new ATOM 0 HA CYS A 45 1.828 -3.090 -0.293 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.352 -2.582 0.858 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.329 -4.194 1.547 1.00 0.00 H new ATOM 0 HG CYS A 45 2.198 -3.656 2.895 1.00 0.00 H new ATOM 616 N SER A 46 2.491 -5.801 -0.572 1.00 0.00 N ATOM 617 CA SER A 46 3.287 -6.997 -0.317 1.00 0.00 C ATOM 618 C SER A 46 4.726 -6.800 -0.783 1.00 0.00 C ATOM 619 O SER A 46 5.358 -7.726 -1.293 1.00 0.00 O ATOM 620 CB SER A 46 2.671 -8.205 -1.025 1.00 0.00 C ATOM 621 OG SER A 46 2.947 -9.404 -0.320 1.00 0.00 O ATOM 0 H SER A 46 2.393 -5.562 -1.559 1.00 0.00 H new ATOM 0 HA SER A 46 3.293 -7.178 0.758 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.593 -8.070 -1.111 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.065 -8.276 -2.039 1.00 0.00 H new ATOM 0 HG SER A 46 2.542 -10.161 -0.791 1.00 0.00 H new ATOM 627 N PHE A 47 5.239 -5.587 -0.603 1.00 0.00 N ATOM 628 CA PHE A 47 6.604 -5.267 -1.005 1.00 0.00 C ATOM 629 C PHE A 47 7.403 -4.717 0.173 1.00 0.00 C ATOM 630 O PHE A 47 6.970 -3.785 0.851 1.00 0.00 O ATOM 631 CB PHE A 47 6.596 -4.251 -2.149 1.00 0.00 C ATOM 632 CG PHE A 47 5.995 -4.783 -3.419 1.00 0.00 C ATOM 633 CD1 PHE A 47 4.635 -4.671 -3.657 1.00 0.00 C ATOM 634 CD2 PHE A 47 6.791 -5.395 -4.374 1.00 0.00 C ATOM 635 CE1 PHE A 47 4.079 -5.159 -4.825 1.00 0.00 C ATOM 636 CE2 PHE A 47 6.240 -5.884 -5.544 1.00 0.00 C ATOM 637 CZ PHE A 47 4.883 -5.767 -5.769 1.00 0.00 C ATOM 0 H PHE A 47 4.730 -4.810 -0.182 1.00 0.00 H new ATOM 0 HA PHE A 47 7.080 -6.186 -1.347 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.040 -3.367 -1.836 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.619 -3.930 -2.347 1.00 0.00 H new ATOM 0 HD1 PHE A 47 4.002 -4.197 -2.922 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.853 -5.491 -4.203 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.017 -5.065 -4.999 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.871 -6.357 -6.282 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.451 -6.150 -6.682 1.00 0.00 H new ATOM 647 N LYS A 48 8.572 -5.301 0.411 1.00 0.00 N ATOM 648 CA LYS A 48 9.434 -4.871 1.506 1.00 0.00 C ATOM 649 C LYS A 48 10.335 -3.721 1.069 1.00 0.00 C ATOM 650 O LYS A 48 10.631 -3.566 -0.116 1.00 0.00 O ATOM 651 CB LYS A 48 10.287 -6.042 2.000 1.00 0.00 C ATOM 652 CG LYS A 48 9.517 -7.040 2.848 1.00 0.00 C ATOM 653 CD LYS A 48 10.425 -8.134 3.384 1.00 0.00 C ATOM 654 CE LYS A 48 11.128 -7.699 4.661 1.00 0.00 C ATOM 655 NZ LYS A 48 10.159 -7.389 5.749 1.00 0.00 N ATOM 0 H LYS A 48 8.945 -6.074 -0.140 1.00 0.00 H new ATOM 0 HA LYS A 48 8.799 -4.523 2.321 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.711 -6.560 1.140 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.123 -5.652 2.581 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.041 -6.521 3.680 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.720 -7.486 2.253 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.839 -9.032 3.578 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.167 -8.395 2.629 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.804 -8.488 4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.739 -6.820 4.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.215 -6.378 5.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.195 -7.618 5.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.389 -7.955 6.591 1.00 0.00 H new ATOM 669 N VAL A 49 10.771 -2.917 2.034 1.00 0.00 N ATOM 670 CA VAL A 49 11.641 -1.782 1.749 1.00 0.00 C ATOM 671 C VAL A 49 12.409 -1.353 2.994 1.00 0.00 C ATOM 672 O VAL A 49 11.960 -1.536 4.126 1.00 0.00 O ATOM 673 CB VAL A 49 10.839 -0.581 1.214 1.00 0.00 C ATOM 674 CG1 VAL A 49 10.115 -0.951 -0.071 1.00 0.00 C ATOM 675 CG2 VAL A 49 9.857 -0.085 2.265 1.00 0.00 C ATOM 0 H VAL A 49 10.536 -3.031 3.020 1.00 0.00 H new ATOM 0 HA VAL A 49 12.347 -2.107 0.985 1.00 0.00 H new ATOM 0 HB VAL A 49 11.535 0.227 0.990 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.554 -0.090 -0.433 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.842 -1.253 -0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.429 -1.776 0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.299 0.764 1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.164 -0.886 2.523 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.403 0.223 3.157 1.00 0.00 H new ATOM 685 N PRO A 50 13.597 -0.766 2.783 1.00 0.00 N ATOM 686 CA PRO A 50 14.453 -0.297 3.877 1.00 0.00 C ATOM 687 C PRO A 50 13.869 0.918 4.590 1.00 0.00 C ATOM 688 O PRO A 50 13.680 1.974 3.986 1.00 0.00 O ATOM 689 CB PRO A 50 15.759 0.075 3.170 1.00 0.00 C ATOM 690 CG PRO A 50 15.357 0.388 1.770 1.00 0.00 C ATOM 691 CD PRO A 50 14.195 -0.515 1.461 1.00 0.00 C ATOM 0 HA PRO A 50 14.572 -1.052 4.654 1.00 0.00 H new ATOM 0 HB2 PRO A 50 16.236 0.932 3.646 1.00 0.00 H new ATOM 0 HB3 PRO A 50 16.474 -0.747 3.202 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.074 1.436 1.670 1.00 0.00 H new ATOM 0 HG3 PRO A 50 16.182 0.213 1.079 1.00 0.00 H new ATOM 0 HD2 PRO A 50 13.486 -0.040 0.783 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.520 -1.440 0.985 1.00 0.00 H new ATOM 699 N LYS A 51 13.585 0.762 5.879 1.00 0.00 N ATOM 700 CA LYS A 51 13.024 1.846 6.676 1.00 0.00 C ATOM 701 C LYS A 51 14.060 2.942 6.909 1.00 0.00 C ATOM 702 O LYS A 51 13.716 4.065 7.278 1.00 0.00 O ATOM 703 CB LYS A 51 12.520 1.312 8.018 1.00 0.00 C ATOM 704 CG LYS A 51 12.672 2.299 9.162 1.00 0.00 C ATOM 705 CD LYS A 51 12.304 1.670 10.495 1.00 0.00 C ATOM 706 CE LYS A 51 10.804 1.445 10.610 1.00 0.00 C ATOM 707 NZ LYS A 51 10.335 1.538 12.020 1.00 0.00 N ATOM 0 H LYS A 51 13.734 -0.106 6.394 1.00 0.00 H new ATOM 0 HA LYS A 51 12.186 2.273 6.125 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.469 1.042 7.920 1.00 0.00 H new ATOM 0 HB3 LYS A 51 13.062 0.399 8.263 1.00 0.00 H new ATOM 0 HG2 LYS A 51 13.701 2.658 9.200 1.00 0.00 H new ATOM 0 HG3 LYS A 51 12.038 3.167 8.981 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.825 0.719 10.606 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.640 2.314 11.308 1.00 0.00 H new ATOM 0 HE2 LYS A 51 10.279 2.183 10.003 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.552 0.464 10.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.308 1.379 12.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.817 0.817 12.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.552 2.483 12.396 1.00 0.00 H new ATOM 721 N SER A 52 15.327 2.608 6.691 1.00 0.00 N ATOM 722 CA SER A 52 16.413 3.563 6.880 1.00 0.00 C ATOM 723 C SER A 52 16.623 4.403 5.624 1.00 0.00 C ATOM 724 O SER A 52 17.748 4.781 5.298 1.00 0.00 O ATOM 725 CB SER A 52 17.707 2.831 7.241 1.00 0.00 C ATOM 726 OG SER A 52 18.585 3.675 7.965 1.00 0.00 O ATOM 0 H SER A 52 15.628 1.683 6.383 1.00 0.00 H new ATOM 0 HA SER A 52 16.140 4.229 7.699 1.00 0.00 H new ATOM 0 HB2 SER A 52 17.475 1.947 7.835 1.00 0.00 H new ATOM 0 HB3 SER A 52 18.198 2.484 6.332 1.00 0.00 H new ATOM 0 HG SER A 52 18.762 4.486 7.445 1.00 0.00 H new ATOM 732 N SER A 53 15.531 4.690 4.923 1.00 0.00 N ATOM 733 CA SER A 53 15.594 5.481 3.700 1.00 0.00 C ATOM 734 C SER A 53 14.536 6.581 3.709 1.00 0.00 C ATOM 735 O SER A 53 14.844 7.754 3.501 1.00 0.00 O ATOM 736 CB SER A 53 15.402 4.583 2.476 1.00 0.00 C ATOM 737 OG SER A 53 16.583 3.857 2.186 1.00 0.00 O ATOM 0 H SER A 53 14.592 4.387 5.181 1.00 0.00 H new ATOM 0 HA SER A 53 16.578 5.948 3.649 1.00 0.00 H new ATOM 0 HB2 SER A 53 14.580 3.890 2.655 1.00 0.00 H new ATOM 0 HB3 SER A 53 15.124 5.191 1.615 1.00 0.00 H new ATOM 0 HG SER A 53 16.434 3.290 1.401 1.00 0.00 H new ATOM 743 N MET A 54 13.289 6.191 3.952 1.00 0.00 N ATOM 744 CA MET A 54 12.185 7.143 3.989 1.00 0.00 C ATOM 745 C MET A 54 11.944 7.640 5.411 1.00 0.00 C ATOM 746 O MET A 54 12.028 6.873 6.370 1.00 0.00 O ATOM 747 CB MET A 54 10.911 6.502 3.438 1.00 0.00 C ATOM 748 CG MET A 54 10.099 5.761 4.489 1.00 0.00 C ATOM 749 SD MET A 54 10.920 4.266 5.073 1.00 0.00 S ATOM 750 CE MET A 54 10.351 3.073 3.864 1.00 0.00 C ATOM 0 H MET A 54 13.018 5.223 4.126 1.00 0.00 H new ATOM 0 HA MET A 54 12.453 7.996 3.365 1.00 0.00 H new ATOM 0 HB2 MET A 54 10.289 7.277 2.990 1.00 0.00 H new ATOM 0 HB3 MET A 54 11.179 5.808 2.641 1.00 0.00 H new ATOM 0 HG2 MET A 54 9.915 6.424 5.335 1.00 0.00 H new ATOM 0 HG3 MET A 54 9.127 5.498 4.073 1.00 0.00 H new ATOM 0 HE1 MET A 54 11.116 2.310 3.718 1.00 0.00 H new ATOM 0 HE2 MET A 54 9.434 2.604 4.220 1.00 0.00 H new ATOM 0 HE3 MET A 54 10.157 3.578 2.918 1.00 0.00 H new ATOM 760 N GLY A 55 11.644 8.929 5.541 1.00 0.00 N ATOM 761 CA GLY A 55 11.396 9.505 6.849 1.00 0.00 C ATOM 762 C GLY A 55 12.676 9.888 7.566 1.00 0.00 C ATOM 763 O GLY A 55 13.767 9.770 7.009 1.00 0.00 O ATOM 0 H GLY A 55 11.568 9.584 4.763 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.766 10.388 6.740 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.842 8.791 7.458 1.00 0.00 H new ATOM 767 N ALA A 56 12.543 10.348 8.806 1.00 0.00 N ATOM 768 CA ALA A 56 13.698 10.748 9.600 1.00 0.00 C ATOM 769 C ALA A 56 13.896 9.815 10.790 1.00 0.00 C ATOM 770 O ALA A 56 14.279 10.249 11.877 1.00 0.00 O ATOM 771 CB ALA A 56 13.539 12.185 10.075 1.00 0.00 C ATOM 0 H ALA A 56 11.647 10.453 9.282 1.00 0.00 H new ATOM 0 HA ALA A 56 14.583 10.681 8.968 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.409 12.471 10.667 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.454 12.846 9.212 1.00 0.00 H new ATOM 0 HB3 ALA A 56 12.641 12.269 10.686 1.00 0.00 H new ATOM 777 N THR A 57 13.632 8.529 10.578 1.00 0.00 N ATOM 778 CA THR A 57 13.779 7.535 11.633 1.00 0.00 C ATOM 779 C THR A 57 15.082 7.735 12.399 1.00 0.00 C ATOM 780 O THR A 57 16.019 8.354 11.897 1.00 0.00 O ATOM 781 CB THR A 57 13.745 6.103 11.065 1.00 0.00 C ATOM 782 OG1 THR A 57 13.882 5.152 12.126 1.00 0.00 O ATOM 783 CG2 THR A 57 14.857 5.899 10.047 1.00 0.00 C ATOM 0 H THR A 57 13.315 8.152 9.685 1.00 0.00 H new ATOM 0 HA THR A 57 12.937 7.668 12.312 1.00 0.00 H new ATOM 0 HB THR A 57 12.787 5.955 10.567 1.00 0.00 H new ATOM 0 HG1 THR A 57 13.281 4.395 11.966 1.00 0.00 H new ATOM 0 HG21 THR A 57 14.813 4.881 9.660 1.00 0.00 H new ATOM 0 HG22 THR A 57 14.733 6.605 9.226 1.00 0.00 H new ATOM 0 HG23 THR A 57 15.823 6.064 10.525 1.00 0.00 H new ATOM 791 N ALA A 58 15.135 7.205 13.617 1.00 0.00 N ATOM 792 CA ALA A 58 16.324 7.324 14.450 1.00 0.00 C ATOM 793 C ALA A 58 17.485 6.524 13.867 1.00 0.00 C ATOM 794 O ALA A 58 17.313 5.697 12.972 1.00 0.00 O ATOM 795 CB ALA A 58 16.023 6.862 15.869 1.00 0.00 C ATOM 0 H ALA A 58 14.368 6.689 14.048 1.00 0.00 H new ATOM 0 HA ALA A 58 16.616 8.374 14.475 1.00 0.00 H new ATOM 0 HB1 ALA A 58 16.920 6.956 16.480 1.00 0.00 H new ATOM 0 HB2 ALA A 58 15.229 7.478 16.292 1.00 0.00 H new ATOM 0 HB3 ALA A 58 15.703 5.820 15.852 1.00 0.00 H new ATOM 801 N PRO A 59 18.696 6.776 14.385 1.00 0.00 N ATOM 802 CA PRO A 59 19.909 6.089 13.930 1.00 0.00 C ATOM 803 C PRO A 59 19.932 4.620 14.338 1.00 0.00 C ATOM 804 O PRO A 59 20.870 3.892 14.016 1.00 0.00 O ATOM 805 CB PRO A 59 21.034 6.856 14.630 1.00 0.00 C ATOM 806 CG PRO A 59 20.396 7.442 15.842 1.00 0.00 C ATOM 807 CD PRO A 59 18.976 7.748 15.455 1.00 0.00 C ATOM 0 HA PRO A 59 19.990 6.083 12.843 1.00 0.00 H new ATOM 0 HB2 PRO A 59 21.858 6.194 14.897 1.00 0.00 H new ATOM 0 HB3 PRO A 59 21.445 7.632 13.985 1.00 0.00 H new ATOM 0 HG2 PRO A 59 20.431 6.743 16.678 1.00 0.00 H new ATOM 0 HG3 PRO A 59 20.917 8.345 16.160 1.00 0.00 H new ATOM 0 HD2 PRO A 59 18.295 7.626 16.297 1.00 0.00 H new ATOM 0 HD3 PRO A 59 18.868 8.774 15.104 1.00 0.00 H new ATOM 815 N GLU A 60 18.892 4.191 15.046 1.00 0.00 N ATOM 816 CA GLU A 60 18.794 2.808 15.498 1.00 0.00 C ATOM 817 C GLU A 60 18.204 1.920 14.406 1.00 0.00 C ATOM 818 O GLU A 60 18.672 0.806 14.176 1.00 0.00 O ATOM 819 CB GLU A 60 17.936 2.720 16.761 1.00 0.00 C ATOM 820 CG GLU A 60 16.491 3.136 16.546 1.00 0.00 C ATOM 821 CD GLU A 60 15.649 2.990 17.799 1.00 0.00 C ATOM 822 OE1 GLU A 60 15.782 1.956 18.486 1.00 0.00 O ATOM 823 OE2 GLU A 60 14.857 3.911 18.092 1.00 0.00 O ATOM 0 H GLU A 60 18.106 4.781 15.319 1.00 0.00 H new ATOM 0 HA GLU A 60 19.800 2.455 15.726 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.959 1.696 17.135 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.376 3.351 17.533 1.00 0.00 H new ATOM 0 HG2 GLU A 60 16.461 4.173 16.212 1.00 0.00 H new ATOM 0 HG3 GLU A 60 16.058 2.532 15.749 1.00 0.00 H new ATOM 830 N ALA A 61 17.171 2.423 13.737 1.00 0.00 N ATOM 831 CA ALA A 61 16.517 1.677 12.669 1.00 0.00 C ATOM 832 C ALA A 61 17.291 1.799 11.360 1.00 0.00 C ATOM 833 O ALA A 61 16.890 2.534 10.459 1.00 0.00 O ATOM 834 CB ALA A 61 15.087 2.163 12.485 1.00 0.00 C ATOM 0 H ALA A 61 16.770 3.343 13.916 1.00 0.00 H new ATOM 0 HA ALA A 61 16.498 0.625 12.953 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.611 1.597 11.684 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.532 2.018 13.412 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.093 3.222 12.227 1.00 0.00 H new ATOM 840 N GLN A 62 18.401 1.074 11.265 1.00 0.00 N ATOM 841 CA GLN A 62 19.231 1.103 10.067 1.00 0.00 C ATOM 842 C GLN A 62 18.974 -0.123 9.197 1.00 0.00 C ATOM 843 O GLN A 62 18.647 -0.001 8.016 1.00 0.00 O ATOM 844 CB GLN A 62 20.711 1.171 10.448 1.00 0.00 C ATOM 845 CG GLN A 62 21.151 2.541 10.938 1.00 0.00 C ATOM 846 CD GLN A 62 22.592 2.558 11.407 1.00 0.00 C ATOM 847 OE1 GLN A 62 23.415 1.763 10.952 1.00 0.00 O ATOM 848 NE2 GLN A 62 22.906 3.468 12.323 1.00 0.00 N ATOM 0 H GLN A 62 18.746 0.460 12.003 1.00 0.00 H new ATOM 0 HA GLN A 62 18.969 1.993 9.495 1.00 0.00 H new ATOM 0 HB2 GLN A 62 20.911 0.434 11.226 1.00 0.00 H new ATOM 0 HB3 GLN A 62 21.313 0.893 9.583 1.00 0.00 H new ATOM 0 HG2 GLN A 62 21.026 3.267 10.135 1.00 0.00 H new ATOM 0 HG3 GLN A 62 20.503 2.855 11.756 1.00 0.00 H new ATOM 0 HE21 GLN A 62 22.192 4.107 12.672 1.00 0.00 H new ATOM 0 HE22 GLN A 62 23.861 3.527 12.677 1.00 0.00 H new ATOM 857 N ARG A 63 19.123 -1.304 9.788 1.00 0.00 N ATOM 858 CA ARG A 63 18.908 -2.552 9.066 1.00 0.00 C ATOM 859 C ARG A 63 17.476 -3.046 9.247 1.00 0.00 C ATOM 860 O ARG A 63 17.237 -4.243 9.401 1.00 0.00 O ATOM 861 CB ARG A 63 19.892 -3.620 9.547 1.00 0.00 C ATOM 862 CG ARG A 63 19.743 -3.966 11.019 1.00 0.00 C ATOM 863 CD ARG A 63 20.948 -4.737 11.535 1.00 0.00 C ATOM 864 NE ARG A 63 21.134 -4.563 12.974 1.00 0.00 N ATOM 865 CZ ARG A 63 22.300 -4.725 13.589 1.00 0.00 C ATOM 866 NH1 ARG A 63 23.379 -5.060 12.895 1.00 0.00 N ATOM 867 NH2 ARG A 63 22.389 -4.549 14.901 1.00 0.00 N ATOM 0 H ARG A 63 19.392 -1.423 10.765 1.00 0.00 H new ATOM 0 HA ARG A 63 19.077 -2.363 8.006 1.00 0.00 H new ATOM 0 HB2 ARG A 63 19.753 -4.524 8.954 1.00 0.00 H new ATOM 0 HB3 ARG A 63 20.909 -3.273 9.365 1.00 0.00 H new ATOM 0 HG2 ARG A 63 19.620 -3.051 11.598 1.00 0.00 H new ATOM 0 HG3 ARG A 63 18.840 -4.559 11.165 1.00 0.00 H new ATOM 0 HD2 ARG A 63 20.824 -5.796 11.311 1.00 0.00 H new ATOM 0 HD3 ARG A 63 21.844 -4.403 11.011 1.00 0.00 H new ATOM 0 HE ARG A 63 20.324 -4.303 13.537 1.00 0.00 H new ATOM 0 HH11 ARG A 63 23.315 -5.194 11.886 1.00 0.00 H new ATOM 0 HH12 ARG A 63 24.273 -5.184 13.370 1.00 0.00 H new ATOM 0 HH21 ARG A 63 21.562 -4.289 15.438 1.00 0.00 H new ATOM 0 HH22 ARG A 63 23.285 -4.674 15.373 1.00 0.00 H new ATOM 881 N GLU A 64 16.528 -2.114 9.229 1.00 0.00 N ATOM 882 CA GLU A 64 15.120 -2.456 9.393 1.00 0.00 C ATOM 883 C GLU A 64 14.417 -2.531 8.041 1.00 0.00 C ATOM 884 O GLU A 64 14.825 -1.880 7.078 1.00 0.00 O ATOM 885 CB GLU A 64 14.423 -1.426 10.285 1.00 0.00 C ATOM 886 CG GLU A 64 14.462 -1.777 11.763 1.00 0.00 C ATOM 887 CD GLU A 64 15.870 -1.781 12.326 1.00 0.00 C ATOM 888 OE1 GLU A 64 16.782 -1.273 11.641 1.00 0.00 O ATOM 889 OE2 GLU A 64 16.059 -2.293 13.449 1.00 0.00 O ATOM 0 H GLU A 64 16.709 -1.118 9.103 1.00 0.00 H new ATOM 0 HA GLU A 64 15.064 -3.436 9.868 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.893 -0.453 10.138 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.384 -1.329 9.970 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.855 -1.062 12.318 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.013 -2.759 11.911 1.00 0.00 H new ATOM 896 N THR A 65 13.357 -3.331 7.974 1.00 0.00 N ATOM 897 CA THR A 65 12.598 -3.494 6.741 1.00 0.00 C ATOM 898 C THR A 65 11.102 -3.340 6.992 1.00 0.00 C ATOM 899 O THR A 65 10.529 -4.034 7.832 1.00 0.00 O ATOM 900 CB THR A 65 12.860 -4.868 6.097 1.00 0.00 C ATOM 901 OG1 THR A 65 12.724 -5.903 7.078 1.00 0.00 O ATOM 902 CG2 THR A 65 14.252 -4.922 5.485 1.00 0.00 C ATOM 0 H THR A 65 13.005 -3.877 8.761 1.00 0.00 H new ATOM 0 HA THR A 65 12.932 -2.712 6.059 1.00 0.00 H new ATOM 0 HB THR A 65 12.126 -5.020 5.305 1.00 0.00 H new ATOM 0 HG1 THR A 65 12.000 -5.674 7.697 1.00 0.00 H new ATOM 0 HG21 THR A 65 14.414 -5.902 5.036 1.00 0.00 H new ATOM 0 HG22 THR A 65 14.343 -4.152 4.719 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.998 -4.751 6.261 1.00 0.00 H new ATOM 910 N VAL A 66 10.475 -2.427 6.257 1.00 0.00 N ATOM 911 CA VAL A 66 9.044 -2.183 6.399 1.00 0.00 C ATOM 912 C VAL A 66 8.304 -2.485 5.100 1.00 0.00 C ATOM 913 O VAL A 66 8.862 -2.356 4.011 1.00 0.00 O ATOM 914 CB VAL A 66 8.761 -0.727 6.811 1.00 0.00 C ATOM 915 CG1 VAL A 66 9.323 -0.445 8.196 1.00 0.00 C ATOM 916 CG2 VAL A 66 9.337 0.239 5.787 1.00 0.00 C ATOM 0 H VAL A 66 10.935 -1.844 5.558 1.00 0.00 H new ATOM 0 HA VAL A 66 8.685 -2.850 7.182 1.00 0.00 H new ATOM 0 HB VAL A 66 7.681 -0.582 6.846 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.113 0.589 8.470 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.858 -1.114 8.920 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.401 -0.608 8.191 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.127 1.263 6.095 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.415 0.095 5.717 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.882 0.052 4.814 1.00 0.00 H new ATOM 926 N PHE A 67 7.044 -2.888 5.224 1.00 0.00 N ATOM 927 CA PHE A 67 6.226 -3.209 4.060 1.00 0.00 C ATOM 928 C PHE A 67 5.520 -1.964 3.531 1.00 0.00 C ATOM 929 O PHE A 67 4.969 -1.175 4.299 1.00 0.00 O ATOM 930 CB PHE A 67 5.194 -4.281 4.415 1.00 0.00 C ATOM 931 CG PHE A 67 5.791 -5.646 4.612 1.00 0.00 C ATOM 932 CD1 PHE A 67 6.512 -5.943 5.757 1.00 0.00 C ATOM 933 CD2 PHE A 67 5.632 -6.631 3.650 1.00 0.00 C ATOM 934 CE1 PHE A 67 7.062 -7.197 5.941 1.00 0.00 C ATOM 935 CE2 PHE A 67 6.180 -7.887 3.829 1.00 0.00 C ATOM 936 CZ PHE A 67 6.897 -8.170 4.975 1.00 0.00 C ATOM 0 H PHE A 67 6.567 -3.000 6.119 1.00 0.00 H new ATOM 0 HA PHE A 67 6.884 -3.592 3.280 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.674 -3.986 5.326 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.447 -4.331 3.623 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.646 -5.185 6.515 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.074 -6.415 2.751 1.00 0.00 H new ATOM 0 HE1 PHE A 67 7.620 -7.416 6.839 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.048 -8.647 3.073 1.00 0.00 H new ATOM 0 HZ PHE A 67 7.328 -9.150 5.115 1.00 0.00 H new ATOM 946 N VAL A 68 5.541 -1.794 2.213 1.00 0.00 N ATOM 947 CA VAL A 68 4.904 -0.646 1.580 1.00 0.00 C ATOM 948 C VAL A 68 4.041 -1.078 0.399 1.00 0.00 C ATOM 949 O VAL A 68 3.935 -2.267 0.096 1.00 0.00 O ATOM 950 CB VAL A 68 5.947 0.377 1.091 1.00 0.00 C ATOM 951 CG1 VAL A 68 6.786 0.881 2.255 1.00 0.00 C ATOM 952 CG2 VAL A 68 6.828 -0.235 0.013 1.00 0.00 C ATOM 0 H VAL A 68 5.993 -2.437 1.563 1.00 0.00 H new ATOM 0 HA VAL A 68 4.274 -0.178 2.336 1.00 0.00 H new ATOM 0 HB VAL A 68 5.421 1.228 0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.517 1.603 1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.139 1.360 2.990 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.304 0.042 2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.559 0.501 -0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.347 -1.104 0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.210 -0.542 -0.831 1.00 0.00 H new ATOM 962 N CYS A 69 3.426 -0.105 -0.264 1.00 0.00 N ATOM 963 CA CYS A 69 2.571 -0.384 -1.412 1.00 0.00 C ATOM 964 C CYS A 69 3.361 -0.286 -2.714 1.00 0.00 C ATOM 965 O CYS A 69 4.228 0.574 -2.863 1.00 0.00 O ATOM 966 CB CYS A 69 1.391 0.590 -1.444 1.00 0.00 C ATOM 967 SG CYS A 69 1.851 2.303 -1.860 1.00 0.00 S ATOM 0 H CYS A 69 3.504 0.884 -0.026 1.00 0.00 H new ATOM 0 HA CYS A 69 2.191 -1.401 -1.313 1.00 0.00 H new ATOM 0 HB2 CYS A 69 0.660 0.235 -2.171 1.00 0.00 H new ATOM 0 HB3 CYS A 69 0.902 0.583 -0.470 1.00 0.00 H new ATOM 972 N ALA A 70 3.053 -1.173 -3.655 1.00 0.00 N ATOM 973 CA ALA A 70 3.731 -1.185 -4.945 1.00 0.00 C ATOM 974 C ALA A 70 4.076 0.229 -5.397 1.00 0.00 C ATOM 975 O ALA A 70 5.226 0.523 -5.726 1.00 0.00 O ATOM 976 CB ALA A 70 2.868 -1.879 -5.988 1.00 0.00 C ATOM 0 H ALA A 70 2.338 -1.893 -3.548 1.00 0.00 H new ATOM 0 HA ALA A 70 4.663 -1.740 -4.833 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.387 -1.881 -6.947 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.677 -2.906 -5.677 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.921 -1.348 -6.089 1.00 0.00 H new ATOM 982 N SER A 71 3.074 1.102 -5.412 1.00 0.00 N ATOM 983 CA SER A 71 3.271 2.486 -5.829 1.00 0.00 C ATOM 984 C SER A 71 4.514 3.079 -5.173 1.00 0.00 C ATOM 985 O SER A 71 5.336 3.715 -5.834 1.00 0.00 O ATOM 986 CB SER A 71 2.043 3.327 -5.475 1.00 0.00 C ATOM 987 OG SER A 71 1.061 3.250 -6.493 1.00 0.00 O ATOM 0 H SER A 71 2.117 0.876 -5.140 1.00 0.00 H new ATOM 0 HA SER A 71 3.411 2.498 -6.910 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.621 2.981 -4.532 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.340 4.366 -5.329 1.00 0.00 H new ATOM 0 HG SER A 71 0.286 3.795 -6.242 1.00 0.00 H new ATOM 993 N CYS A 72 4.646 2.865 -3.868 1.00 0.00 N ATOM 994 CA CYS A 72 5.788 3.378 -3.121 1.00 0.00 C ATOM 995 C CYS A 72 7.040 2.554 -3.407 1.00 0.00 C ATOM 996 O CYS A 72 8.030 3.069 -3.923 1.00 0.00 O ATOM 997 CB CYS A 72 5.488 3.367 -1.620 1.00 0.00 C ATOM 998 SG CYS A 72 4.228 4.577 -1.105 1.00 0.00 S ATOM 0 H CYS A 72 3.976 2.340 -3.306 1.00 0.00 H new ATOM 0 HA CYS A 72 5.969 4.404 -3.441 1.00 0.00 H new ATOM 0 HB2 CYS A 72 5.156 2.369 -1.334 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.411 3.565 -1.074 1.00 0.00 H new ATOM 1003 N ASN A 73 6.987 1.270 -3.067 1.00 0.00 N ATOM 1004 CA ASN A 73 8.116 0.374 -3.286 1.00 0.00 C ATOM 1005 C ASN A 73 8.815 0.693 -4.604 1.00 0.00 C ATOM 1006 O ASN A 73 10.041 0.634 -4.697 1.00 0.00 O ATOM 1007 CB ASN A 73 7.646 -1.082 -3.285 1.00 0.00 C ATOM 1008 CG ASN A 73 8.768 -2.052 -3.603 1.00 0.00 C ATOM 1009 OD1 ASN A 73 9.504 -2.480 -2.713 1.00 0.00 O ATOM 1010 ND2 ASN A 73 8.903 -2.403 -4.876 1.00 0.00 N ATOM 0 H ASN A 73 6.174 0.827 -2.639 1.00 0.00 H new ATOM 0 HA ASN A 73 8.827 0.520 -2.473 1.00 0.00 H new ATOM 0 HB2 ASN A 73 7.225 -1.325 -2.309 1.00 0.00 H new ATOM 0 HB3 ASN A 73 6.846 -1.203 -4.016 1.00 0.00 H new ATOM 0 HD21 ASN A 73 9.640 -3.053 -5.151 1.00 0.00 H new ATOM 0 HD22 ASN A 73 8.270 -2.023 -5.580 1.00 0.00 H new ATOM 1017 N GLN A 74 8.027 1.031 -5.619 1.00 0.00 N ATOM 1018 CA GLN A 74 8.571 1.359 -6.932 1.00 0.00 C ATOM 1019 C GLN A 74 9.364 2.661 -6.882 1.00 0.00 C ATOM 1020 O GLN A 74 10.455 2.758 -7.445 1.00 0.00 O ATOM 1021 CB GLN A 74 7.444 1.474 -7.960 1.00 0.00 C ATOM 1022 CG GLN A 74 6.947 0.130 -8.470 1.00 0.00 C ATOM 1023 CD GLN A 74 6.058 0.262 -9.691 1.00 0.00 C ATOM 1024 OE1 GLN A 74 6.437 0.880 -10.686 1.00 0.00 O ATOM 1025 NE2 GLN A 74 4.866 -0.319 -9.621 1.00 0.00 N ATOM 0 H GLN A 74 7.010 1.085 -5.558 1.00 0.00 H new ATOM 0 HA GLN A 74 9.244 0.555 -7.230 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.610 2.015 -7.513 1.00 0.00 H new ATOM 0 HB3 GLN A 74 7.793 2.068 -8.805 1.00 0.00 H new ATOM 0 HG2 GLN A 74 7.802 -0.500 -8.714 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.395 -0.374 -7.676 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.592 -0.821 -8.777 1.00 0.00 H new ATOM 0 HE22 GLN A 74 4.224 -0.263 -10.412 1.00 0.00 H new ATOM 1034 N THR A 75 8.808 3.661 -6.205 1.00 0.00 N ATOM 1035 CA THR A 75 9.463 4.958 -6.084 1.00 0.00 C ATOM 1036 C THR A 75 10.679 4.876 -5.169 1.00 0.00 C ATOM 1037 O THR A 75 11.763 5.346 -5.516 1.00 0.00 O ATOM 1038 CB THR A 75 8.496 6.026 -5.539 1.00 0.00 C ATOM 1039 OG1 THR A 75 7.398 6.200 -6.442 1.00 0.00 O ATOM 1040 CG2 THR A 75 9.212 7.354 -5.342 1.00 0.00 C ATOM 0 H THR A 75 7.906 3.598 -5.732 1.00 0.00 H new ATOM 0 HA THR A 75 9.784 5.245 -7.085 1.00 0.00 H new ATOM 0 HB THR A 75 8.121 5.686 -4.574 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.754 5.472 -6.318 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.509 8.093 -4.957 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.029 7.225 -4.632 1.00 0.00 H new ATOM 0 HG23 THR A 75 9.612 7.697 -6.296 1.00 0.00 H new ATOM 1048 N LEU A 76 10.494 4.276 -3.998 1.00 0.00 N ATOM 1049 CA LEU A 76 11.578 4.131 -3.032 1.00 0.00 C ATOM 1050 C LEU A 76 12.784 3.446 -3.666 1.00 0.00 C ATOM 1051 O LEU A 76 13.916 3.910 -3.531 1.00 0.00 O ATOM 1052 CB LEU A 76 11.102 3.332 -1.818 1.00 0.00 C ATOM 1053 CG LEU A 76 9.957 3.949 -1.015 1.00 0.00 C ATOM 1054 CD1 LEU A 76 9.336 2.915 -0.089 1.00 0.00 C ATOM 1055 CD2 LEU A 76 10.450 5.151 -0.221 1.00 0.00 C ATOM 0 H LEU A 76 9.604 3.882 -3.694 1.00 0.00 H new ATOM 0 HA LEU A 76 11.879 5.127 -2.708 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.790 2.345 -2.158 1.00 0.00 H new ATOM 0 HB3 LEU A 76 11.950 3.185 -1.149 1.00 0.00 H new ATOM 0 HG LEU A 76 9.191 4.288 -1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 76 8.523 3.373 0.474 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.947 2.085 -0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 76 10.093 2.545 0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 76 9.622 5.578 0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.235 4.836 0.467 1.00 0.00 H new ATOM 0 HD23 LEU A 76 10.847 5.901 -0.905 1.00 0.00 H new ATOM 1067 N SER A 77 12.533 2.340 -4.359 1.00 0.00 N ATOM 1068 CA SER A 77 13.599 1.590 -5.013 1.00 0.00 C ATOM 1069 C SER A 77 13.853 2.121 -6.420 1.00 0.00 C ATOM 1070 O SER A 77 13.827 1.369 -7.395 1.00 0.00 O ATOM 1071 CB SER A 77 13.242 0.103 -5.074 1.00 0.00 C ATOM 1072 OG SER A 77 12.075 -0.110 -5.849 1.00 0.00 O ATOM 0 H SER A 77 11.601 1.944 -4.482 1.00 0.00 H new ATOM 0 HA SER A 77 14.509 1.715 -4.427 1.00 0.00 H new ATOM 0 HB2 SER A 77 14.074 -0.457 -5.502 1.00 0.00 H new ATOM 0 HB3 SER A 77 13.087 -0.279 -4.065 1.00 0.00 H new ATOM 0 HG SER A 77 11.296 -0.172 -5.257 1.00 0.00 H new ATOM 1078 N LYS A 78 14.099 3.423 -6.519 1.00 0.00 N ATOM 1079 CA LYS A 78 14.360 4.058 -7.805 1.00 0.00 C ATOM 1080 C LYS A 78 15.562 4.992 -7.717 1.00 0.00 C ATOM 1081 O LYS A 78 15.831 5.576 -6.667 1.00 0.00 O ATOM 1082 CB LYS A 78 13.128 4.837 -8.272 1.00 0.00 C ATOM 1083 CG LYS A 78 13.012 4.943 -9.782 1.00 0.00 C ATOM 1084 CD LYS A 78 11.570 5.148 -10.217 1.00 0.00 C ATOM 1085 CE LYS A 78 11.118 6.583 -9.989 1.00 0.00 C ATOM 1086 NZ LYS A 78 11.747 7.523 -10.957 1.00 0.00 N ATOM 0 H LYS A 78 14.123 4.060 -5.723 1.00 0.00 H new ATOM 0 HA LYS A 78 14.583 3.275 -8.530 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.233 4.354 -7.880 1.00 0.00 H new ATOM 0 HB3 LYS A 78 13.160 5.840 -7.847 1.00 0.00 H new ATOM 0 HG2 LYS A 78 13.622 5.774 -10.137 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.407 4.038 -10.243 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.468 4.897 -11.273 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.922 4.469 -9.663 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.033 6.641 -10.079 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.370 6.886 -8.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.247 8.435 -10.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.745 7.668 -10.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.689 7.124 -11.916 1.00 0.00 H new ATOM 1100 N SER A 79 16.281 5.130 -8.826 1.00 0.00 N ATOM 1101 CA SER A 79 17.456 5.993 -8.873 1.00 0.00 C ATOM 1102 C SER A 79 17.073 7.412 -9.280 1.00 0.00 C ATOM 1103 O SER A 79 16.723 7.667 -10.431 1.00 0.00 O ATOM 1104 CB SER A 79 18.489 5.431 -9.853 1.00 0.00 C ATOM 1105 OG SER A 79 19.240 4.386 -9.258 1.00 0.00 O ATOM 0 H SER A 79 16.071 4.656 -9.704 1.00 0.00 H new ATOM 0 HA SER A 79 17.892 6.025 -7.874 1.00 0.00 H new ATOM 0 HB2 SER A 79 17.984 5.059 -10.744 1.00 0.00 H new ATOM 0 HB3 SER A 79 19.160 6.227 -10.176 1.00 0.00 H new ATOM 0 HG SER A 79 19.892 4.043 -9.904 1.00 0.00 H new ATOM 1111 N GLY A 80 17.142 8.334 -8.324 1.00 0.00 N ATOM 1112 CA GLY A 80 16.799 9.717 -8.601 1.00 0.00 C ATOM 1113 C GLY A 80 16.583 10.525 -7.337 1.00 0.00 C ATOM 1114 O GLY A 80 17.525 11.047 -6.740 1.00 0.00 O ATOM 0 H GLY A 80 17.429 8.148 -7.363 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.594 10.174 -9.190 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.894 9.749 -9.208 1.00 0.00 H new ATOM 1118 N PRO A 81 15.316 10.638 -6.911 1.00 0.00 N ATOM 1119 CA PRO A 81 14.950 11.389 -5.706 1.00 0.00 C ATOM 1120 C PRO A 81 15.421 10.701 -4.429 1.00 0.00 C ATOM 1121 O PRO A 81 14.867 9.680 -4.023 1.00 0.00 O ATOM 1122 CB PRO A 81 13.421 11.425 -5.761 1.00 0.00 C ATOM 1123 CG PRO A 81 13.043 10.229 -6.565 1.00 0.00 C ATOM 1124 CD PRO A 81 14.144 10.042 -7.573 1.00 0.00 C ATOM 0 HA PRO A 81 15.413 12.376 -5.685 1.00 0.00 H new ATOM 0 HB2 PRO A 81 12.988 11.383 -4.762 1.00 0.00 H new ATOM 0 HB3 PRO A 81 13.063 12.344 -6.226 1.00 0.00 H new ATOM 0 HG2 PRO A 81 12.941 9.349 -5.930 1.00 0.00 H new ATOM 0 HG3 PRO A 81 12.083 10.378 -7.059 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.304 8.989 -7.802 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.916 10.542 -8.514 1.00 0.00 H new ATOM 1132 N SER A 82 16.447 11.267 -3.801 1.00 0.00 N ATOM 1133 CA SER A 82 16.994 10.706 -2.571 1.00 0.00 C ATOM 1134 C SER A 82 16.190 11.166 -1.359 1.00 0.00 C ATOM 1135 O SER A 82 15.701 10.350 -0.578 1.00 0.00 O ATOM 1136 CB SER A 82 18.460 11.111 -2.409 1.00 0.00 C ATOM 1137 OG SER A 82 18.996 10.613 -1.196 1.00 0.00 O ATOM 0 H SER A 82 16.916 12.113 -4.124 1.00 0.00 H new ATOM 0 HA SER A 82 16.930 9.620 -2.636 1.00 0.00 H new ATOM 0 HB2 SER A 82 19.040 10.731 -3.250 1.00 0.00 H new ATOM 0 HB3 SER A 82 18.545 12.198 -2.429 1.00 0.00 H new ATOM 0 HG SER A 82 19.934 10.884 -1.117 1.00 0.00 H new ATOM 1143 N SER A 83 16.058 12.480 -1.209 1.00 0.00 N ATOM 1144 CA SER A 83 15.317 13.051 -0.090 1.00 0.00 C ATOM 1145 C SER A 83 14.240 14.011 -0.585 1.00 0.00 C ATOM 1146 O SER A 83 14.479 14.823 -1.478 1.00 0.00 O ATOM 1147 CB SER A 83 16.269 13.781 0.860 1.00 0.00 C ATOM 1148 OG SER A 83 17.122 12.867 1.528 1.00 0.00 O ATOM 0 H SER A 83 16.454 13.169 -1.848 1.00 0.00 H new ATOM 0 HA SER A 83 14.833 12.235 0.447 1.00 0.00 H new ATOM 0 HB2 SER A 83 16.868 14.499 0.299 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.694 14.348 1.592 1.00 0.00 H new ATOM 0 HG SER A 83 17.722 13.358 2.128 1.00 0.00 H new ATOM 1154 N GLY A 84 13.051 13.910 0.002 1.00 0.00 N ATOM 1155 CA GLY A 84 11.954 14.774 -0.392 1.00 0.00 C ATOM 1156 C GLY A 84 11.609 15.796 0.674 1.00 0.00 C ATOM 1157 O GLY A 84 12.082 16.928 0.594 1.00 0.00 O ATOM 0 H GLY A 84 12.828 13.245 0.743 1.00 0.00 H new ATOM 0 HA2 GLY A 84 12.216 15.291 -1.315 1.00 0.00 H new ATOM 0 HA3 GLY A 84 11.075 14.166 -0.606 1.00 0.00 H new TER 1161 GLY A 84 HETATM 1162 ZN ZN A 201 -4.531 -3.313 -4.495 1.00 0.00 ZN HETATM 1163 ZN ZN A 401 2.498 3.507 0.020 1.00 0.00 ZN