USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 805 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 22 GLN : amide:sc= 0.025 X(o=0.049,f=0) USER MOD Set 1.2: A 25 LYS NZ :NH3+ -114:sc= 0.0241 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -144:sc= 0.0515 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HE2:sc= -1.3 K(o=-1.3,f=-0.6) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot -25:sc= 0.508 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -2.24 X(o=-2.2,f=-2.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.734 X(o=-0.73,f=-0.4) USER MOD Single : A 57 LYS NZ :NH3+ -148:sc= -1.94 (180deg=-4.16!) USER MOD Single : A 58 MET CE :methyl 171:sc= 0 (180deg=-0.134) USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 66 HIS : no HD1:sc= -3.1! C(o=-3.1!,f=-5.1!) USER MOD Single : A 67 SER OG : rot 24:sc= -0.113 USER MOD Single : A 74 THR OG1 : rot -140:sc= -0.941 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 7:sc= 1.19 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot -2:sc= -2.05! USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.522 K(o=-0.52,f=-2!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 ASN : amide:sc= -0.0473 X(o=-0.047,f=-0.047) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.809 31.267 -0.224 1.00 0.00 N ATOM 2 CA GLY A 1 5.256 29.925 -0.215 1.00 0.00 C ATOM 3 C GLY A 1 3.798 29.896 -0.627 1.00 0.00 C ATOM 4 O GLY A 1 3.314 30.816 -1.288 1.00 0.00 O ATOM 0 H1 GLY A 1 6.799 31.232 -0.541 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.258 31.865 -0.873 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.767 31.666 0.735 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.834 29.293 -0.890 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.357 29.501 0.784 1.00 0.00 H new ATOM 8 N SER A 2 3.095 28.837 -0.239 1.00 0.00 N ATOM 9 CA SER A 2 1.685 28.689 -0.577 1.00 0.00 C ATOM 10 C SER A 2 0.901 29.942 -0.198 1.00 0.00 C ATOM 11 O SER A 2 1.429 30.845 0.450 1.00 0.00 O ATOM 12 CB SER A 2 1.093 27.469 0.132 1.00 0.00 C ATOM 13 OG SER A 2 -0.065 27.001 -0.537 1.00 0.00 O ATOM 0 H SER A 2 3.480 28.068 0.310 1.00 0.00 H new ATOM 0 HA SER A 2 1.609 28.546 -1.655 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.837 26.674 0.176 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.842 27.729 1.161 1.00 0.00 H new ATOM 0 HG SER A 2 -0.423 26.220 -0.065 1.00 0.00 H new ATOM 19 N SER A 3 -0.363 29.988 -0.606 1.00 0.00 N ATOM 20 CA SER A 3 -1.220 31.130 -0.313 1.00 0.00 C ATOM 21 C SER A 3 -1.838 31.004 1.076 1.00 0.00 C ATOM 22 O SER A 3 -1.784 31.934 1.879 1.00 0.00 O ATOM 23 CB SER A 3 -2.324 31.250 -1.366 1.00 0.00 C ATOM 24 OG SER A 3 -1.818 31.785 -2.577 1.00 0.00 O ATOM 0 H SER A 3 -0.816 29.247 -1.141 1.00 0.00 H new ATOM 0 HA SER A 3 -0.605 32.030 -0.337 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.761 30.269 -1.553 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.123 31.888 -0.989 1.00 0.00 H new ATOM 0 HG SER A 3 -2.542 31.850 -3.234 1.00 0.00 H new ATOM 30 N GLY A 4 -2.426 29.844 1.352 1.00 0.00 N ATOM 31 CA GLY A 4 -3.046 29.615 2.644 1.00 0.00 C ATOM 32 C GLY A 4 -2.135 28.875 3.602 1.00 0.00 C ATOM 33 O GLY A 4 -1.178 29.447 4.126 1.00 0.00 O ATOM 0 H GLY A 4 -2.484 29.059 0.704 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.328 30.572 3.083 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.964 29.044 2.507 1.00 0.00 H new ATOM 37 N SER A 5 -2.431 27.600 3.834 1.00 0.00 N ATOM 38 CA SER A 5 -1.634 26.782 4.740 1.00 0.00 C ATOM 39 C SER A 5 -0.318 26.372 4.086 1.00 0.00 C ATOM 40 O SER A 5 -0.308 25.719 3.042 1.00 0.00 O ATOM 41 CB SER A 5 -2.418 25.538 5.161 1.00 0.00 C ATOM 42 OG SER A 5 -3.181 25.786 6.329 1.00 0.00 O ATOM 0 H SER A 5 -3.218 27.111 3.407 1.00 0.00 H new ATOM 0 HA SER A 5 -1.409 27.377 5.625 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.078 25.229 4.351 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.728 24.714 5.342 1.00 0.00 H new ATOM 0 HG SER A 5 -3.674 24.976 6.576 1.00 0.00 H new ATOM 48 N SER A 6 0.791 26.759 4.708 1.00 0.00 N ATOM 49 CA SER A 6 2.113 26.435 4.186 1.00 0.00 C ATOM 50 C SER A 6 2.154 25.004 3.660 1.00 0.00 C ATOM 51 O SER A 6 2.072 24.046 4.427 1.00 0.00 O ATOM 52 CB SER A 6 3.174 26.621 5.273 1.00 0.00 C ATOM 53 OG SER A 6 3.535 27.985 5.404 1.00 0.00 O ATOM 0 H SER A 6 0.800 27.297 5.574 1.00 0.00 H new ATOM 0 HA SER A 6 2.326 27.114 3.360 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.794 26.249 6.224 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.057 26.030 5.029 1.00 0.00 H new ATOM 0 HG SER A 6 4.213 28.078 6.106 1.00 0.00 H new ATOM 59 N GLY A 7 2.281 24.867 2.343 1.00 0.00 N ATOM 60 CA GLY A 7 2.330 23.550 1.736 1.00 0.00 C ATOM 61 C GLY A 7 3.747 23.105 1.430 1.00 0.00 C ATOM 62 O GLY A 7 4.632 23.933 1.214 1.00 0.00 O ATOM 0 H GLY A 7 2.351 25.644 1.686 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.862 22.828 2.405 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.747 23.556 0.815 1.00 0.00 H new ATOM 66 N PHE A 8 3.963 21.794 1.412 1.00 0.00 N ATOM 67 CA PHE A 8 5.283 21.240 1.133 1.00 0.00 C ATOM 68 C PHE A 8 5.190 20.090 0.135 1.00 0.00 C ATOM 69 O PHE A 8 4.228 19.322 0.144 1.00 0.00 O ATOM 70 CB PHE A 8 5.940 20.756 2.428 1.00 0.00 C ATOM 71 CG PHE A 8 5.601 21.598 3.624 1.00 0.00 C ATOM 72 CD1 PHE A 8 4.469 21.333 4.377 1.00 0.00 C ATOM 73 CD2 PHE A 8 6.415 22.657 3.995 1.00 0.00 C ATOM 74 CE1 PHE A 8 4.154 22.106 5.479 1.00 0.00 C ATOM 75 CE2 PHE A 8 6.106 23.433 5.096 1.00 0.00 C ATOM 76 CZ PHE A 8 4.974 23.158 5.838 1.00 0.00 C ATOM 0 H PHE A 8 3.241 21.095 1.587 1.00 0.00 H new ATOM 0 HA PHE A 8 5.896 22.028 0.696 1.00 0.00 H new ATOM 0 HB2 PHE A 8 5.633 19.728 2.619 1.00 0.00 H new ATOM 0 HB3 PHE A 8 7.022 20.746 2.295 1.00 0.00 H new ATOM 0 HD1 PHE A 8 3.824 20.512 4.100 1.00 0.00 H new ATOM 0 HD2 PHE A 8 7.300 22.878 3.417 1.00 0.00 H new ATOM 0 HE1 PHE A 8 3.269 21.888 6.058 1.00 0.00 H new ATOM 0 HE2 PHE A 8 6.749 24.254 5.376 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.730 23.765 6.698 1.00 0.00 H new ATOM 86 N ARG A 9 6.197 19.979 -0.725 1.00 0.00 N ATOM 87 CA ARG A 9 6.229 18.924 -1.732 1.00 0.00 C ATOM 88 C ARG A 9 5.945 17.563 -1.102 1.00 0.00 C ATOM 89 O ARG A 9 6.415 17.248 -0.009 1.00 0.00 O ATOM 90 CB ARG A 9 7.588 18.900 -2.433 1.00 0.00 C ATOM 91 CG ARG A 9 7.553 18.251 -3.807 1.00 0.00 C ATOM 92 CD ARG A 9 8.893 18.374 -4.515 1.00 0.00 C ATOM 93 NE ARG A 9 9.286 19.767 -4.706 1.00 0.00 N ATOM 94 CZ ARG A 9 10.347 20.141 -5.413 1.00 0.00 C ATOM 95 NH1 ARG A 9 11.116 19.231 -5.993 1.00 0.00 N ATOM 96 NH2 ARG A 9 10.639 21.429 -5.541 1.00 0.00 N ATOM 0 H ARG A 9 7.001 20.606 -0.745 1.00 0.00 H new ATOM 0 HA ARG A 9 5.452 19.134 -2.467 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.954 19.922 -2.532 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.301 18.365 -1.806 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.288 17.198 -3.707 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.776 18.719 -4.412 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.658 17.858 -3.935 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.838 17.877 -5.484 1.00 0.00 H new ATOM 0 HE ARG A 9 8.715 20.493 -4.273 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.894 18.240 -5.897 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.930 19.522 -6.535 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.049 22.132 -5.097 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.454 21.716 -6.084 1.00 0.00 H new ATOM 110 N PRO A 10 5.158 16.738 -1.807 1.00 0.00 N ATOM 111 CA PRO A 10 4.794 15.398 -1.337 1.00 0.00 C ATOM 112 C PRO A 10 5.978 14.437 -1.350 1.00 0.00 C ATOM 113 O PRO A 10 6.504 14.099 -2.410 1.00 0.00 O ATOM 114 CB PRO A 10 3.729 14.947 -2.340 1.00 0.00 C ATOM 115 CG PRO A 10 4.022 15.723 -3.578 1.00 0.00 C ATOM 116 CD PRO A 10 4.562 17.048 -3.118 1.00 0.00 C ATOM 0 HA PRO A 10 4.448 15.409 -0.303 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.786 13.874 -2.523 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.725 15.154 -1.971 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.747 15.202 -4.203 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.122 15.856 -4.178 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.303 17.443 -3.813 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.773 17.796 -3.034 1.00 0.00 H new ATOM 124 N HIS A 11 6.393 14.001 -0.164 1.00 0.00 N ATOM 125 CA HIS A 11 7.516 13.078 -0.040 1.00 0.00 C ATOM 126 C HIS A 11 7.219 11.999 0.997 1.00 0.00 C ATOM 127 O HIS A 11 6.723 12.289 2.085 1.00 0.00 O ATOM 128 CB HIS A 11 8.786 13.836 0.346 1.00 0.00 C ATOM 129 CG HIS A 11 9.784 12.997 1.084 1.00 0.00 C ATOM 130 ND1 HIS A 11 10.896 12.447 0.482 1.00 0.00 N ATOM 131 CD2 HIS A 11 9.833 12.616 2.381 1.00 0.00 C ATOM 132 CE1 HIS A 11 11.585 11.763 1.377 1.00 0.00 C ATOM 133 NE2 HIS A 11 10.962 11.850 2.538 1.00 0.00 N ATOM 0 H HIS A 11 5.969 14.272 0.723 1.00 0.00 H new ATOM 0 HA HIS A 11 7.668 12.597 -1.006 1.00 0.00 H new ATOM 0 HB2 HIS A 11 9.252 14.230 -0.557 1.00 0.00 H new ATOM 0 HB3 HIS A 11 8.515 14.691 0.965 1.00 0.00 H new ATOM 0 HD1 HIS A 11 11.147 12.552 -0.501 1.00 0.00 H new ATOM 0 HD2 HIS A 11 9.117 12.867 3.150 1.00 0.00 H new ATOM 0 HE1 HIS A 11 12.502 11.224 1.191 1.00 0.00 H new ATOM 141 N PHE A 12 7.525 10.753 0.650 1.00 0.00 N ATOM 142 CA PHE A 12 7.289 9.629 1.550 1.00 0.00 C ATOM 143 C PHE A 12 8.420 9.499 2.566 1.00 0.00 C ATOM 144 O PHE A 12 9.553 9.172 2.212 1.00 0.00 O ATOM 145 CB PHE A 12 7.152 8.330 0.753 1.00 0.00 C ATOM 146 CG PHE A 12 5.939 8.295 -0.133 1.00 0.00 C ATOM 147 CD1 PHE A 12 4.673 8.147 0.410 1.00 0.00 C ATOM 148 CD2 PHE A 12 6.066 8.409 -1.508 1.00 0.00 C ATOM 149 CE1 PHE A 12 3.555 8.114 -0.401 1.00 0.00 C ATOM 150 CE2 PHE A 12 4.951 8.377 -2.324 1.00 0.00 C ATOM 151 CZ PHE A 12 3.694 8.228 -1.771 1.00 0.00 C ATOM 0 H PHE A 12 7.937 10.496 -0.247 1.00 0.00 H new ATOM 0 HA PHE A 12 6.360 9.816 2.089 1.00 0.00 H new ATOM 0 HB2 PHE A 12 8.043 8.193 0.141 1.00 0.00 H new ATOM 0 HB3 PHE A 12 7.110 7.490 1.447 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.559 8.056 1.480 1.00 0.00 H new ATOM 0 HD2 PHE A 12 7.046 8.524 -1.947 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.574 7.999 0.035 1.00 0.00 H new ATOM 0 HE2 PHE A 12 5.063 8.469 -3.394 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.822 8.201 -2.408 1.00 0.00 H new ATOM 161 N LEU A 13 8.104 9.759 3.830 1.00 0.00 N ATOM 162 CA LEU A 13 9.093 9.672 4.899 1.00 0.00 C ATOM 163 C LEU A 13 9.460 8.220 5.184 1.00 0.00 C ATOM 164 O LEU A 13 10.636 7.884 5.329 1.00 0.00 O ATOM 165 CB LEU A 13 8.558 10.334 6.170 1.00 0.00 C ATOM 166 CG LEU A 13 8.191 11.813 6.053 1.00 0.00 C ATOM 167 CD1 LEU A 13 7.374 12.257 7.256 1.00 0.00 C ATOM 168 CD2 LEU A 13 9.445 12.664 5.915 1.00 0.00 C ATOM 0 H LEU A 13 7.171 10.032 4.140 1.00 0.00 H new ATOM 0 HA LEU A 13 9.991 10.197 4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.674 9.786 6.497 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.307 10.227 6.954 1.00 0.00 H new ATOM 0 HG LEU A 13 7.584 11.947 5.158 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.122 13.313 7.155 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.458 11.669 7.311 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.956 12.108 8.166 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.165 13.714 5.833 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.078 12.525 6.792 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.992 12.364 5.021 1.00 0.00 H new ATOM 180 N GLN A 14 8.448 7.362 5.260 1.00 0.00 N ATOM 181 CA GLN A 14 8.665 5.945 5.526 1.00 0.00 C ATOM 182 C GLN A 14 7.920 5.081 4.514 1.00 0.00 C ATOM 183 O GLN A 14 6.690 5.087 4.465 1.00 0.00 O ATOM 184 CB GLN A 14 8.213 5.596 6.944 1.00 0.00 C ATOM 185 CG GLN A 14 9.228 5.965 8.015 1.00 0.00 C ATOM 186 CD GLN A 14 9.085 5.125 9.269 1.00 0.00 C ATOM 187 OE1 GLN A 14 8.031 5.113 9.905 1.00 0.00 O ATOM 188 NE2 GLN A 14 10.148 4.416 9.631 1.00 0.00 N ATOM 0 H GLN A 14 7.469 7.624 5.141 1.00 0.00 H new ATOM 0 HA GLN A 14 9.732 5.743 5.433 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.274 6.108 7.153 1.00 0.00 H new ATOM 0 HB3 GLN A 14 8.012 4.526 6.999 1.00 0.00 H new ATOM 0 HG2 GLN A 14 10.234 5.844 7.614 1.00 0.00 H new ATOM 0 HG3 GLN A 14 9.112 7.018 8.272 1.00 0.00 H new ATOM 0 HE21 GLN A 14 11.001 4.456 9.074 1.00 0.00 H new ATOM 0 HE22 GLN A 14 10.111 3.831 10.466 1.00 0.00 H new ATOM 197 N ALA A 15 8.673 4.339 3.709 1.00 0.00 N ATOM 198 CA ALA A 15 8.083 3.468 2.700 1.00 0.00 C ATOM 199 C ALA A 15 8.549 2.027 2.878 1.00 0.00 C ATOM 200 O ALA A 15 9.690 1.760 3.255 1.00 0.00 O ATOM 201 CB ALA A 15 8.428 3.967 1.305 1.00 0.00 C ATOM 0 H ALA A 15 9.693 4.324 3.736 1.00 0.00 H new ATOM 0 HA ALA A 15 7.000 3.490 2.825 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.981 3.307 0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.040 4.977 1.174 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.511 3.975 1.179 1.00 0.00 H new ATOM 207 N PRO A 16 7.646 1.074 2.602 1.00 0.00 N ATOM 208 CA PRO A 16 7.942 -0.357 2.725 1.00 0.00 C ATOM 209 C PRO A 16 8.922 -0.839 1.661 1.00 0.00 C ATOM 210 O PRO A 16 9.399 -0.056 0.841 1.00 0.00 O ATOM 211 CB PRO A 16 6.576 -1.020 2.534 1.00 0.00 C ATOM 212 CG PRO A 16 5.791 -0.044 1.728 1.00 0.00 C ATOM 213 CD PRO A 16 6.267 1.319 2.148 1.00 0.00 C ATOM 0 HA PRO A 16 8.416 -0.595 3.677 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.668 -1.976 2.018 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.095 -1.220 3.492 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.951 -0.201 0.661 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.722 -0.157 1.911 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.236 2.028 1.321 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.649 1.732 2.945 1.00 0.00 H new ATOM 221 N GLY A 17 9.218 -2.136 1.680 1.00 0.00 N ATOM 222 CA GLY A 17 10.140 -2.700 0.712 1.00 0.00 C ATOM 223 C GLY A 17 9.695 -4.061 0.213 1.00 0.00 C ATOM 224 O GLY A 17 8.560 -4.225 -0.234 1.00 0.00 O ATOM 0 H GLY A 17 8.836 -2.805 2.348 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.235 -2.019 -0.134 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.128 -2.787 1.164 1.00 0.00 H new ATOM 228 N ASP A 18 10.591 -5.038 0.288 1.00 0.00 N ATOM 229 CA ASP A 18 10.286 -6.392 -0.161 1.00 0.00 C ATOM 230 C ASP A 18 9.664 -7.210 0.967 1.00 0.00 C ATOM 231 O ASP A 18 10.338 -7.564 1.936 1.00 0.00 O ATOM 232 CB ASP A 18 11.552 -7.082 -0.670 1.00 0.00 C ATOM 233 CG ASP A 18 12.544 -7.364 0.441 1.00 0.00 C ATOM 234 OD1 ASP A 18 13.358 -6.469 0.751 1.00 0.00 O ATOM 235 OD2 ASP A 18 12.506 -8.480 1.000 1.00 0.00 O ATOM 0 H ASP A 18 11.535 -4.918 0.655 1.00 0.00 H new ATOM 0 HA ASP A 18 9.567 -6.324 -0.977 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.281 -8.018 -1.157 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.025 -6.455 -1.425 1.00 0.00 H new ATOM 240 N LEU A 19 8.376 -7.507 0.835 1.00 0.00 N ATOM 241 CA LEU A 19 7.663 -8.283 1.844 1.00 0.00 C ATOM 242 C LEU A 19 7.419 -9.709 1.361 1.00 0.00 C ATOM 243 O LEU A 19 7.399 -9.975 0.159 1.00 0.00 O ATOM 244 CB LEU A 19 6.331 -7.612 2.184 1.00 0.00 C ATOM 245 CG LEU A 19 6.386 -6.506 3.237 1.00 0.00 C ATOM 246 CD1 LEU A 19 6.486 -7.101 4.633 1.00 0.00 C ATOM 247 CD2 LEU A 19 7.557 -5.572 2.968 1.00 0.00 C ATOM 0 H LEU A 19 7.804 -7.223 0.040 1.00 0.00 H new ATOM 0 HA LEU A 19 8.281 -8.324 2.741 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.914 -7.193 1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.638 -8.380 2.528 1.00 0.00 H new ATOM 0 HG LEU A 19 5.464 -5.928 3.177 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.524 -6.298 5.369 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.615 -7.728 4.825 1.00 0.00 H new ATOM 0 HD13 LEU A 19 7.391 -7.704 4.707 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.581 -4.790 3.727 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.488 -6.138 3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.442 -5.118 1.984 1.00 0.00 H new ATOM 259 N THR A 20 7.231 -10.625 2.307 1.00 0.00 N ATOM 260 CA THR A 20 6.987 -12.024 1.979 1.00 0.00 C ATOM 261 C THR A 20 5.810 -12.577 2.773 1.00 0.00 C ATOM 262 O THR A 20 5.862 -12.664 4.000 1.00 0.00 O ATOM 263 CB THR A 20 8.230 -12.890 2.253 1.00 0.00 C ATOM 264 OG1 THR A 20 9.411 -12.203 1.825 1.00 0.00 O ATOM 265 CG2 THR A 20 8.127 -14.228 1.535 1.00 0.00 C ATOM 0 H THR A 20 7.243 -10.422 3.307 1.00 0.00 H new ATOM 0 HA THR A 20 6.754 -12.064 0.915 1.00 0.00 H new ATOM 0 HB THR A 20 8.287 -13.075 3.326 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.197 -12.760 2.005 1.00 0.00 H new ATOM 0 HG21 THR A 20 9.017 -14.822 1.744 1.00 0.00 H new ATOM 0 HG22 THR A 20 7.244 -14.762 1.885 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.047 -14.059 0.461 1.00 0.00 H new ATOM 273 N VAL A 21 4.748 -12.952 2.066 1.00 0.00 N ATOM 274 CA VAL A 21 3.558 -13.500 2.705 1.00 0.00 C ATOM 275 C VAL A 21 3.021 -14.698 1.932 1.00 0.00 C ATOM 276 O VAL A 21 2.930 -14.667 0.705 1.00 0.00 O ATOM 277 CB VAL A 21 2.447 -12.440 2.825 1.00 0.00 C ATOM 278 CG1 VAL A 21 1.215 -13.030 3.494 1.00 0.00 C ATOM 279 CG2 VAL A 21 2.950 -11.226 3.592 1.00 0.00 C ATOM 0 H VAL A 21 4.688 -12.886 1.050 1.00 0.00 H new ATOM 0 HA VAL A 21 3.854 -13.820 3.704 1.00 0.00 H new ATOM 0 HB VAL A 21 2.167 -12.118 1.822 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.441 -12.266 3.570 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.843 -13.865 2.900 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.476 -13.382 4.492 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.152 -10.487 3.667 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.259 -11.530 4.592 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.800 -10.790 3.067 1.00 0.00 H new ATOM 289 N GLN A 22 2.665 -15.753 2.658 1.00 0.00 N ATOM 290 CA GLN A 22 2.136 -16.963 2.038 1.00 0.00 C ATOM 291 C GLN A 22 0.665 -16.790 1.675 1.00 0.00 C ATOM 292 O GLN A 22 -0.146 -16.388 2.508 1.00 0.00 O ATOM 293 CB GLN A 22 2.305 -18.158 2.978 1.00 0.00 C ATOM 294 CG GLN A 22 2.159 -19.503 2.285 1.00 0.00 C ATOM 295 CD GLN A 22 2.288 -20.671 3.243 1.00 0.00 C ATOM 296 OE1 GLN A 22 1.344 -21.008 3.959 1.00 0.00 O ATOM 297 NE2 GLN A 22 3.459 -21.295 3.263 1.00 0.00 N ATOM 0 H GLN A 22 2.733 -15.795 3.675 1.00 0.00 H new ATOM 0 HA GLN A 22 2.698 -17.148 1.122 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.288 -18.105 3.446 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.567 -18.088 3.777 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.189 -19.549 1.791 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.917 -19.591 1.507 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.214 -20.982 2.653 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.604 -22.087 3.889 1.00 0.00 H new ATOM 306 N GLU A 23 0.329 -17.097 0.426 1.00 0.00 N ATOM 307 CA GLU A 23 -1.045 -16.974 -0.047 1.00 0.00 C ATOM 308 C GLU A 23 -2.034 -17.358 1.050 1.00 0.00 C ATOM 309 O GLU A 23 -1.866 -18.373 1.725 1.00 0.00 O ATOM 310 CB GLU A 23 -1.265 -17.855 -1.278 1.00 0.00 C ATOM 311 CG GLU A 23 -2.593 -17.609 -1.974 1.00 0.00 C ATOM 312 CD GLU A 23 -3.102 -18.832 -2.710 1.00 0.00 C ATOM 313 OE1 GLU A 23 -2.709 -19.957 -2.336 1.00 0.00 O ATOM 314 OE2 GLU A 23 -3.894 -18.665 -3.661 1.00 0.00 O ATOM 0 H GLU A 23 0.989 -17.432 -0.276 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.217 -15.933 -0.319 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.455 -17.682 -1.987 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.209 -18.902 -0.980 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.333 -17.299 -1.236 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.482 -16.785 -2.679 1.00 0.00 H new ATOM 321 N GLY A 24 -3.066 -16.538 1.221 1.00 0.00 N ATOM 322 CA GLY A 24 -4.067 -16.807 2.237 1.00 0.00 C ATOM 323 C GLY A 24 -3.599 -16.426 3.628 1.00 0.00 C ATOM 324 O GLY A 24 -3.960 -17.072 4.612 1.00 0.00 O ATOM 0 H GLY A 24 -3.227 -15.692 0.674 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.978 -16.257 2.000 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.321 -17.867 2.220 1.00 0.00 H new ATOM 328 N LYS A 25 -2.791 -15.374 3.711 1.00 0.00 N ATOM 329 CA LYS A 25 -2.272 -14.907 4.990 1.00 0.00 C ATOM 330 C LYS A 25 -2.569 -13.424 5.189 1.00 0.00 C ATOM 331 O LYS A 25 -3.071 -12.754 4.285 1.00 0.00 O ATOM 332 CB LYS A 25 -0.763 -15.151 5.071 1.00 0.00 C ATOM 333 CG LYS A 25 -0.391 -16.616 5.219 1.00 0.00 C ATOM 334 CD LYS A 25 -0.725 -17.139 6.606 1.00 0.00 C ATOM 335 CE LYS A 25 -0.803 -18.658 6.625 1.00 0.00 C ATOM 336 NZ LYS A 25 0.546 -19.281 6.723 1.00 0.00 N ATOM 0 H LYS A 25 -2.482 -14.829 2.906 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.768 -15.468 5.782 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.290 -14.754 4.173 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.358 -14.595 5.917 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.921 -17.204 4.470 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.675 -16.743 5.028 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.032 -16.804 7.315 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.676 -16.721 6.934 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.414 -18.980 7.468 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.300 -19.008 5.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.752 -19.802 5.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.262 -18.539 6.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.568 -19.937 7.530 1.00 0.00 H new ATOM 350 N LEU A 26 -2.256 -12.917 6.376 1.00 0.00 N ATOM 351 CA LEU A 26 -2.488 -11.512 6.693 1.00 0.00 C ATOM 352 C LEU A 26 -1.350 -10.640 6.173 1.00 0.00 C ATOM 353 O LEU A 26 -0.177 -10.918 6.426 1.00 0.00 O ATOM 354 CB LEU A 26 -2.636 -11.327 8.205 1.00 0.00 C ATOM 355 CG LEU A 26 -2.916 -9.902 8.683 1.00 0.00 C ATOM 356 CD1 LEU A 26 -1.724 -9.000 8.398 1.00 0.00 C ATOM 357 CD2 LEU A 26 -4.172 -9.354 8.021 1.00 0.00 C ATOM 0 H LEU A 26 -1.841 -13.458 7.135 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.411 -11.203 6.202 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.444 -11.971 8.552 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.722 -11.677 8.685 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.079 -9.926 9.761 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.941 -7.990 8.745 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.846 -9.382 8.919 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.530 -8.982 7.326 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.356 -8.339 8.373 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.038 -9.344 6.939 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.023 -9.986 8.276 1.00 0.00 H new ATOM 369 N CYS A 27 -1.703 -9.586 5.446 1.00 0.00 N ATOM 370 CA CYS A 27 -0.711 -8.673 4.891 1.00 0.00 C ATOM 371 C CYS A 27 -1.009 -7.233 5.297 1.00 0.00 C ATOM 372 O CYS A 27 -2.146 -6.771 5.195 1.00 0.00 O ATOM 373 CB CYS A 27 -0.678 -8.788 3.366 1.00 0.00 C ATOM 374 SG CYS A 27 0.190 -7.433 2.542 1.00 0.00 S ATOM 0 H CYS A 27 -2.669 -9.343 5.227 1.00 0.00 H new ATOM 0 HA CYS A 27 0.264 -8.950 5.291 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.201 -9.730 3.094 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.701 -8.830 2.993 1.00 0.00 H new ATOM 0 HG CYS A 27 0.166 -7.621 1.256 1.00 0.00 H new ATOM 380 N ARG A 28 0.019 -6.530 5.761 1.00 0.00 N ATOM 381 CA ARG A 28 -0.134 -5.143 6.186 1.00 0.00 C ATOM 382 C ARG A 28 1.028 -4.290 5.685 1.00 0.00 C ATOM 383 O ARG A 28 2.192 -4.600 5.937 1.00 0.00 O ATOM 384 CB ARG A 28 -0.220 -5.062 7.711 1.00 0.00 C ATOM 385 CG ARG A 28 -0.317 -3.640 8.240 1.00 0.00 C ATOM 386 CD ARG A 28 -0.634 -3.620 9.727 1.00 0.00 C ATOM 387 NE ARG A 28 -0.676 -2.261 10.260 1.00 0.00 N ATOM 388 CZ ARG A 28 -0.866 -1.980 11.544 1.00 0.00 C ATOM 389 NH1 ARG A 28 -1.030 -2.959 12.423 1.00 0.00 N ATOM 390 NH2 ARG A 28 -0.891 -0.717 11.952 1.00 0.00 N ATOM 0 H ARG A 28 0.966 -6.897 5.852 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.058 -4.756 5.756 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.089 -5.626 8.048 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.658 -5.542 8.142 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.623 -3.119 8.060 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.091 -3.100 7.695 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.594 -4.107 9.899 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.117 -4.197 10.266 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.553 -1.485 9.610 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.010 -3.931 12.114 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.176 -2.740 13.409 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.764 0.039 11.279 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.037 -0.503 12.938 1.00 0.00 H new ATOM 404 N MET A 29 0.703 -3.215 4.975 1.00 0.00 N ATOM 405 CA MET A 29 1.719 -2.317 4.439 1.00 0.00 C ATOM 406 C MET A 29 1.437 -0.874 4.843 1.00 0.00 C ATOM 407 O MET A 29 0.407 -0.307 4.478 1.00 0.00 O ATOM 408 CB MET A 29 1.778 -2.430 2.914 1.00 0.00 C ATOM 409 CG MET A 29 2.418 -3.719 2.425 1.00 0.00 C ATOM 410 SD MET A 29 2.994 -3.604 0.720 1.00 0.00 S ATOM 411 CE MET A 29 1.620 -4.351 -0.153 1.00 0.00 C ATOM 0 H MET A 29 -0.256 -2.944 4.757 1.00 0.00 H new ATOM 0 HA MET A 29 2.683 -2.610 4.855 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.767 -2.361 2.513 1.00 0.00 H new ATOM 0 HB3 MET A 29 2.337 -1.583 2.516 1.00 0.00 H new ATOM 0 HG2 MET A 29 3.258 -3.971 3.072 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.697 -4.532 2.507 1.00 0.00 H new ATOM 0 HE1 MET A 29 1.827 -4.353 -1.223 1.00 0.00 H new ATOM 0 HE2 MET A 29 1.483 -5.376 0.193 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.712 -3.779 0.040 1.00 0.00 H new ATOM 421 N ASP A 30 2.357 -0.285 5.599 1.00 0.00 N ATOM 422 CA ASP A 30 2.207 1.093 6.052 1.00 0.00 C ATOM 423 C ASP A 30 3.156 2.020 5.298 1.00 0.00 C ATOM 424 O ASP A 30 4.249 1.615 4.901 1.00 0.00 O ATOM 425 CB ASP A 30 2.469 1.189 7.556 1.00 0.00 C ATOM 426 CG ASP A 30 3.682 0.387 7.985 1.00 0.00 C ATOM 427 OD1 ASP A 30 3.600 -0.860 7.982 1.00 0.00 O ATOM 428 OD2 ASP A 30 4.713 1.004 8.322 1.00 0.00 O ATOM 0 H ASP A 30 3.215 -0.740 5.911 1.00 0.00 H new ATOM 0 HA ASP A 30 1.183 1.407 5.848 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.612 2.234 7.831 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.592 0.834 8.098 1.00 0.00 H new ATOM 433 N CYS A 31 2.729 3.263 5.103 1.00 0.00 N ATOM 434 CA CYS A 31 3.540 4.246 4.394 1.00 0.00 C ATOM 435 C CYS A 31 3.171 5.664 4.820 1.00 0.00 C ATOM 436 O CYS A 31 1.999 6.042 4.809 1.00 0.00 O ATOM 437 CB CYS A 31 3.361 4.092 2.883 1.00 0.00 C ATOM 438 SG CYS A 31 1.674 4.393 2.305 1.00 0.00 S ATOM 0 H CYS A 31 1.827 3.613 5.426 1.00 0.00 H new ATOM 0 HA CYS A 31 4.585 4.069 4.648 1.00 0.00 H new ATOM 0 HB2 CYS A 31 4.036 4.782 2.376 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.658 3.084 2.594 1.00 0.00 H new ATOM 0 HG CYS A 31 0.837 4.166 3.273 1.00 0.00 H new ATOM 444 N LYS A 32 4.178 6.444 5.196 1.00 0.00 N ATOM 445 CA LYS A 32 3.961 7.820 5.627 1.00 0.00 C ATOM 446 C LYS A 32 4.301 8.800 4.508 1.00 0.00 C ATOM 447 O LYS A 32 5.135 8.513 3.650 1.00 0.00 O ATOM 448 CB LYS A 32 4.807 8.128 6.864 1.00 0.00 C ATOM 449 CG LYS A 32 4.457 7.273 8.069 1.00 0.00 C ATOM 450 CD LYS A 32 5.462 7.456 9.194 1.00 0.00 C ATOM 451 CE LYS A 32 5.313 8.816 9.859 1.00 0.00 C ATOM 452 NZ LYS A 32 6.385 9.063 10.862 1.00 0.00 N ATOM 0 H LYS A 32 5.154 6.147 5.211 1.00 0.00 H new ATOM 0 HA LYS A 32 2.907 7.934 5.878 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.859 7.983 6.619 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.683 9.179 7.126 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.460 7.534 8.424 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.426 6.224 7.775 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.326 6.670 9.937 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.473 7.351 8.801 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.340 9.597 9.099 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.339 8.878 10.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.248 10.000 11.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.344 8.333 11.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.313 9.029 10.394 1.00 0.00 H new ATOM 466 N VAL A 33 3.651 9.959 4.526 1.00 0.00 N ATOM 467 CA VAL A 33 3.886 10.983 3.514 1.00 0.00 C ATOM 468 C VAL A 33 3.701 12.381 4.094 1.00 0.00 C ATOM 469 O VAL A 33 2.709 12.659 4.767 1.00 0.00 O ATOM 470 CB VAL A 33 2.941 10.810 2.310 1.00 0.00 C ATOM 471 CG1 VAL A 33 1.496 11.037 2.728 1.00 0.00 C ATOM 472 CG2 VAL A 33 3.334 11.755 1.185 1.00 0.00 C ATOM 0 H VAL A 33 2.958 10.213 5.230 1.00 0.00 H new ATOM 0 HA VAL A 33 4.916 10.865 3.178 1.00 0.00 H new ATOM 0 HB VAL A 33 3.031 9.788 1.943 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.843 10.911 1.864 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.222 10.316 3.498 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.385 12.048 3.121 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.656 11.619 0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.274 12.785 1.537 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.354 11.539 0.868 1.00 0.00 H new ATOM 482 N SER A 34 4.664 13.258 3.828 1.00 0.00 N ATOM 483 CA SER A 34 4.610 14.627 4.327 1.00 0.00 C ATOM 484 C SER A 34 4.168 15.588 3.227 1.00 0.00 C ATOM 485 O SER A 34 4.690 15.558 2.114 1.00 0.00 O ATOM 486 CB SER A 34 5.977 15.049 4.869 1.00 0.00 C ATOM 487 OG SER A 34 6.872 15.356 3.814 1.00 0.00 O ATOM 0 H SER A 34 5.491 13.045 3.270 1.00 0.00 H new ATOM 0 HA SER A 34 3.879 14.665 5.135 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.862 15.918 5.517 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.392 14.248 5.481 1.00 0.00 H new ATOM 0 HG SER A 34 7.738 15.624 4.187 1.00 0.00 H new ATOM 493 N GLY A 35 3.201 16.442 3.550 1.00 0.00 N ATOM 494 CA GLY A 35 2.704 17.400 2.580 1.00 0.00 C ATOM 495 C GLY A 35 1.477 18.141 3.074 1.00 0.00 C ATOM 496 O GLY A 35 0.681 17.598 3.840 1.00 0.00 O ATOM 0 H GLY A 35 2.753 16.487 4.465 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.490 18.119 2.348 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.463 16.881 1.652 1.00 0.00 H new ATOM 500 N LEU A 36 1.325 19.386 2.636 1.00 0.00 N ATOM 501 CA LEU A 36 0.187 20.205 3.040 1.00 0.00 C ATOM 502 C LEU A 36 -0.386 20.966 1.849 1.00 0.00 C ATOM 503 O LEU A 36 0.316 21.702 1.155 1.00 0.00 O ATOM 504 CB LEU A 36 0.604 21.188 4.135 1.00 0.00 C ATOM 505 CG LEU A 36 0.498 20.676 5.572 1.00 0.00 C ATOM 506 CD1 LEU A 36 -0.909 20.173 5.858 1.00 0.00 C ATOM 507 CD2 LEU A 36 1.521 19.578 5.824 1.00 0.00 C ATOM 0 H LEU A 36 1.975 19.850 2.002 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.586 19.542 3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.636 21.488 3.953 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.009 22.084 4.044 1.00 0.00 H new ATOM 0 HG LEU A 36 0.710 21.504 6.249 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.965 19.813 6.885 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.621 20.986 5.719 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.150 19.359 5.174 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.431 19.226 6.852 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.341 18.749 5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.524 19.972 5.662 1.00 0.00 H new ATOM 519 N PRO A 37 -1.694 20.789 1.606 1.00 0.00 N ATOM 520 CA PRO A 37 -2.539 19.915 2.426 1.00 0.00 C ATOM 521 C PRO A 37 -2.204 18.440 2.236 1.00 0.00 C ATOM 522 O PRO A 37 -1.219 18.095 1.581 1.00 0.00 O ATOM 523 CB PRO A 37 -3.952 20.212 1.917 1.00 0.00 C ATOM 524 CG PRO A 37 -3.759 20.694 0.521 1.00 0.00 C ATOM 525 CD PRO A 37 -2.447 21.427 0.513 1.00 0.00 C ATOM 0 HA PRO A 37 -2.406 20.101 3.492 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.578 19.320 1.945 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.444 20.966 2.532 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.744 19.860 -0.181 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.575 21.351 0.219 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -1.934 21.322 -0.443 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.582 22.494 0.687 1.00 0.00 H new ATOM 533 N THR A 38 -3.028 17.571 2.813 1.00 0.00 N ATOM 534 CA THR A 38 -2.818 16.133 2.709 1.00 0.00 C ATOM 535 C THR A 38 -2.650 15.706 1.255 1.00 0.00 C ATOM 536 O THR A 38 -3.518 15.933 0.412 1.00 0.00 O ATOM 537 CB THR A 38 -3.989 15.348 3.330 1.00 0.00 C ATOM 538 OG1 THR A 38 -4.249 15.824 4.655 1.00 0.00 O ATOM 539 CG2 THR A 38 -3.680 13.859 3.372 1.00 0.00 C ATOM 0 H THR A 38 -3.848 17.839 3.358 1.00 0.00 H new ATOM 0 HA THR A 38 -1.905 15.906 3.260 1.00 0.00 H new ATOM 0 HB THR A 38 -4.871 15.502 2.709 1.00 0.00 H new ATOM 0 HG1 THR A 38 -4.996 15.321 5.043 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.521 13.325 3.814 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.511 13.494 2.359 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.786 13.690 3.973 1.00 0.00 H new ATOM 547 N PRO A 39 -1.508 15.072 0.952 1.00 0.00 N ATOM 548 CA PRO A 39 -1.200 14.599 -0.401 1.00 0.00 C ATOM 549 C PRO A 39 -2.077 13.423 -0.817 1.00 0.00 C ATOM 550 O PRO A 39 -2.138 12.406 -0.126 1.00 0.00 O ATOM 551 CB PRO A 39 0.265 14.164 -0.299 1.00 0.00 C ATOM 552 CG PRO A 39 0.462 13.831 1.139 1.00 0.00 C ATOM 553 CD PRO A 39 -0.429 14.768 1.907 1.00 0.00 C ATOM 0 HA PRO A 39 -1.380 15.367 -1.153 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.468 13.303 -0.936 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.938 14.961 -0.617 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.200 12.792 1.338 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.505 13.958 1.430 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.815 14.303 2.814 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.103 15.669 2.212 1.00 0.00 H new ATOM 561 N ASP A 40 -2.754 13.569 -1.951 1.00 0.00 N ATOM 562 CA ASP A 40 -3.627 12.518 -2.461 1.00 0.00 C ATOM 563 C ASP A 40 -2.824 11.463 -3.215 1.00 0.00 C ATOM 564 O ASP A 40 -2.151 11.766 -4.201 1.00 0.00 O ATOM 565 CB ASP A 40 -4.697 13.114 -3.377 1.00 0.00 C ATOM 566 CG ASP A 40 -5.985 12.315 -3.360 1.00 0.00 C ATOM 567 OD1 ASP A 40 -5.951 11.126 -3.741 1.00 0.00 O ATOM 568 OD2 ASP A 40 -7.026 12.878 -2.964 1.00 0.00 O ATOM 0 H ASP A 40 -2.715 14.405 -2.534 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.113 12.039 -1.611 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.905 14.139 -3.069 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.314 13.159 -4.397 1.00 0.00 H new ATOM 573 N LEU A 41 -2.899 10.223 -2.745 1.00 0.00 N ATOM 574 CA LEU A 41 -2.178 9.121 -3.374 1.00 0.00 C ATOM 575 C LEU A 41 -3.142 8.034 -3.837 1.00 0.00 C ATOM 576 O LEU A 41 -4.184 7.810 -3.221 1.00 0.00 O ATOM 577 CB LEU A 41 -1.157 8.532 -2.399 1.00 0.00 C ATOM 578 CG LEU A 41 -1.712 8.029 -1.066 1.00 0.00 C ATOM 579 CD1 LEU A 41 -0.828 6.930 -0.500 1.00 0.00 C ATOM 580 CD2 LEU A 41 -1.840 9.177 -0.075 1.00 0.00 C ATOM 0 H LEU A 41 -3.452 9.955 -1.931 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.655 9.512 -4.246 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.649 7.704 -2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.403 9.291 -2.192 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.704 7.614 -1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.239 6.585 0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.788 6.097 -1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.178 7.318 -0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.236 8.801 0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.860 9.622 0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.516 9.932 -0.478 1.00 0.00 H new ATOM 592 N SER A 42 -2.786 7.359 -4.925 1.00 0.00 N ATOM 593 CA SER A 42 -3.620 6.295 -5.472 1.00 0.00 C ATOM 594 C SER A 42 -2.810 5.019 -5.675 1.00 0.00 C ATOM 595 O SER A 42 -1.681 5.059 -6.164 1.00 0.00 O ATOM 596 CB SER A 42 -4.240 6.736 -6.800 1.00 0.00 C ATOM 597 OG SER A 42 -5.233 7.726 -6.596 1.00 0.00 O ATOM 0 H SER A 42 -1.926 7.530 -5.445 1.00 0.00 H new ATOM 0 HA SER A 42 -4.417 6.088 -4.758 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.462 7.127 -7.456 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.679 5.875 -7.304 1.00 0.00 H new ATOM 0 HG SER A 42 -5.612 7.992 -7.460 1.00 0.00 H new ATOM 603 N TRP A 43 -3.394 3.888 -5.295 1.00 0.00 N ATOM 604 CA TRP A 43 -2.726 2.599 -5.434 1.00 0.00 C ATOM 605 C TRP A 43 -2.938 2.025 -6.831 1.00 0.00 C ATOM 606 O TRP A 43 -4.063 1.972 -7.325 1.00 0.00 O ATOM 607 CB TRP A 43 -3.244 1.617 -4.382 1.00 0.00 C ATOM 608 CG TRP A 43 -2.929 2.031 -2.977 1.00 0.00 C ATOM 609 CD1 TRP A 43 -3.743 2.717 -2.122 1.00 0.00 C ATOM 610 CD2 TRP A 43 -1.711 1.788 -2.264 1.00 0.00 C ATOM 611 NE1 TRP A 43 -3.105 2.915 -0.921 1.00 0.00 N ATOM 612 CE2 TRP A 43 -1.858 2.353 -0.983 1.00 0.00 C ATOM 613 CE3 TRP A 43 -0.512 1.145 -2.584 1.00 0.00 C ATOM 614 CZ2 TRP A 43 -0.850 2.295 -0.024 1.00 0.00 C ATOM 615 CZ3 TRP A 43 0.488 1.089 -1.631 1.00 0.00 C ATOM 616 CH2 TRP A 43 0.314 1.660 -0.364 1.00 0.00 C ATOM 0 H TRP A 43 -4.328 3.837 -4.888 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.658 2.753 -5.282 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.324 1.516 -4.490 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.812 0.634 -4.569 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.742 3.055 -2.355 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.497 3.401 -0.115 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.369 0.700 -3.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -0.982 2.735 0.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.420 0.596 -1.868 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.114 1.598 0.359 1.00 0.00 H new ATOM 627 N GLN A 44 -1.849 1.595 -7.461 1.00 0.00 N ATOM 628 CA GLN A 44 -1.917 1.025 -8.801 1.00 0.00 C ATOM 629 C GLN A 44 -1.217 -0.329 -8.853 1.00 0.00 C ATOM 630 O GLN A 44 -0.043 -0.446 -8.501 1.00 0.00 O ATOM 631 CB GLN A 44 -1.285 1.979 -9.816 1.00 0.00 C ATOM 632 CG GLN A 44 -2.198 3.123 -10.227 1.00 0.00 C ATOM 633 CD GLN A 44 -2.073 4.326 -9.314 1.00 0.00 C ATOM 634 OE1 GLN A 44 -1.221 4.360 -8.425 1.00 0.00 O ATOM 635 NE2 GLN A 44 -2.923 5.324 -9.529 1.00 0.00 N ATOM 0 H GLN A 44 -0.910 1.631 -7.065 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.967 0.880 -9.054 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.369 2.391 -9.393 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.001 1.415 -10.704 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.963 3.421 -11.249 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -3.231 2.776 -10.226 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.613 5.254 -10.277 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.885 6.160 -8.946 1.00 0.00 H new ATOM 644 N LEU A 45 -1.945 -1.349 -9.294 1.00 0.00 N ATOM 645 CA LEU A 45 -1.394 -2.696 -9.392 1.00 0.00 C ATOM 646 C LEU A 45 -1.303 -3.142 -10.848 1.00 0.00 C ATOM 647 O LEU A 45 -2.318 -3.282 -11.530 1.00 0.00 O ATOM 648 CB LEU A 45 -2.256 -3.679 -8.599 1.00 0.00 C ATOM 649 CG LEU A 45 -1.834 -5.148 -8.667 1.00 0.00 C ATOM 650 CD1 LEU A 45 -0.457 -5.337 -8.048 1.00 0.00 C ATOM 651 CD2 LEU A 45 -2.859 -6.030 -7.970 1.00 0.00 C ATOM 0 H LEU A 45 -2.918 -1.269 -9.589 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.388 -2.683 -8.972 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.256 -3.370 -7.554 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.283 -3.600 -8.955 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.783 -5.443 -9.715 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.173 -6.388 -8.105 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.272 -4.734 -8.590 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.481 -5.024 -7.004 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.542 -7.071 -8.028 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.943 -5.734 -6.924 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.827 -5.917 -8.457 1.00 0.00 H new ATOM 663 N ASP A 46 -0.080 -3.366 -11.317 1.00 0.00 N ATOM 664 CA ASP A 46 0.144 -3.800 -12.691 1.00 0.00 C ATOM 665 C ASP A 46 -0.395 -2.772 -13.681 1.00 0.00 C ATOM 666 O ASP A 46 -0.991 -3.126 -14.697 1.00 0.00 O ATOM 667 CB ASP A 46 -0.520 -5.157 -12.935 1.00 0.00 C ATOM 668 CG ASP A 46 0.069 -6.253 -12.068 1.00 0.00 C ATOM 669 OD1 ASP A 46 1.289 -6.497 -12.168 1.00 0.00 O ATOM 670 OD2 ASP A 46 -0.692 -6.867 -11.290 1.00 0.00 O ATOM 0 H ASP A 46 0.771 -3.254 -10.766 1.00 0.00 H new ATOM 0 HA ASP A 46 1.219 -3.897 -12.844 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.589 -5.076 -12.737 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -0.410 -5.429 -13.985 1.00 0.00 H new ATOM 675 N GLY A 47 -0.181 -1.495 -13.375 1.00 0.00 N ATOM 676 CA GLY A 47 -0.652 -0.435 -14.247 1.00 0.00 C ATOM 677 C GLY A 47 -2.164 -0.335 -14.273 1.00 0.00 C ATOM 678 O GLY A 47 -2.761 -0.107 -15.326 1.00 0.00 O ATOM 0 H GLY A 47 0.310 -1.177 -12.539 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.234 0.516 -13.917 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.285 -0.611 -15.258 1.00 0.00 H new ATOM 682 N LYS A 48 -2.787 -0.509 -13.113 1.00 0.00 N ATOM 683 CA LYS A 48 -4.240 -0.438 -13.006 1.00 0.00 C ATOM 684 C LYS A 48 -4.661 0.031 -11.616 1.00 0.00 C ATOM 685 O LYS A 48 -4.030 -0.291 -10.609 1.00 0.00 O ATOM 686 CB LYS A 48 -4.861 -1.804 -13.305 1.00 0.00 C ATOM 687 CG LYS A 48 -4.585 -2.303 -14.712 1.00 0.00 C ATOM 688 CD LYS A 48 -5.146 -3.698 -14.930 1.00 0.00 C ATOM 689 CE LYS A 48 -6.615 -3.653 -15.321 1.00 0.00 C ATOM 690 NZ LYS A 48 -7.195 -5.018 -15.456 1.00 0.00 N ATOM 0 H LYS A 48 -2.309 -0.700 -12.233 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.599 0.285 -13.738 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.479 -2.532 -12.589 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.939 -1.744 -13.155 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.025 -1.616 -15.435 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.510 -2.310 -14.892 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.576 -4.203 -15.710 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.029 -4.285 -14.019 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.174 -3.094 -14.571 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.724 -3.117 -16.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.197 -4.944 -15.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.679 -5.544 -16.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.115 -5.521 -14.549 1.00 0.00 H new ATOM 704 N PRO A 49 -5.752 0.808 -11.559 1.00 0.00 N ATOM 705 CA PRO A 49 -6.282 1.335 -10.298 1.00 0.00 C ATOM 706 C PRO A 49 -6.893 0.245 -9.425 1.00 0.00 C ATOM 707 O PRO A 49 -7.910 -0.352 -9.779 1.00 0.00 O ATOM 708 CB PRO A 49 -7.360 2.323 -10.752 1.00 0.00 C ATOM 709 CG PRO A 49 -7.781 1.834 -12.095 1.00 0.00 C ATOM 710 CD PRO A 49 -6.553 1.232 -12.720 1.00 0.00 C ATOM 0 HA PRO A 49 -5.502 1.786 -9.685 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.199 2.341 -10.056 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.969 3.339 -10.805 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -8.578 1.095 -12.009 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.168 2.651 -12.704 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -6.802 0.390 -13.365 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.018 1.957 -13.334 1.00 0.00 H new ATOM 718 N VAL A 50 -6.266 -0.011 -8.281 1.00 0.00 N ATOM 719 CA VAL A 50 -6.749 -1.029 -7.355 1.00 0.00 C ATOM 720 C VAL A 50 -7.893 -0.496 -6.500 1.00 0.00 C ATOM 721 O VAL A 50 -7.776 0.559 -5.876 1.00 0.00 O ATOM 722 CB VAL A 50 -5.622 -1.529 -6.433 1.00 0.00 C ATOM 723 CG1 VAL A 50 -4.816 -0.358 -5.891 1.00 0.00 C ATOM 724 CG2 VAL A 50 -6.194 -2.363 -5.297 1.00 0.00 C ATOM 0 H VAL A 50 -5.422 0.473 -7.973 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.109 -1.861 -7.959 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.953 -2.161 -7.017 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.024 -0.731 -5.241 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.375 0.195 -6.720 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.471 0.302 -5.322 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.383 -2.708 -4.655 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.886 -1.756 -4.713 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.723 -3.223 -5.708 1.00 0.00 H new ATOM 734 N ARG A 51 -8.999 -1.233 -6.474 1.00 0.00 N ATOM 735 CA ARG A 51 -10.165 -0.834 -5.695 1.00 0.00 C ATOM 736 C ARG A 51 -10.284 -1.673 -4.426 1.00 0.00 C ATOM 737 O ARG A 51 -9.974 -2.864 -4.409 1.00 0.00 O ATOM 738 CB ARG A 51 -11.437 -0.974 -6.534 1.00 0.00 C ATOM 739 CG ARG A 51 -11.828 -2.416 -6.811 1.00 0.00 C ATOM 740 CD ARG A 51 -13.258 -2.519 -7.316 1.00 0.00 C ATOM 741 NE ARG A 51 -14.217 -2.654 -6.223 1.00 0.00 N ATOM 742 CZ ARG A 51 -15.528 -2.510 -6.373 1.00 0.00 C ATOM 743 NH1 ARG A 51 -16.035 -2.228 -7.565 1.00 0.00 N ATOM 744 NH2 ARG A 51 -16.336 -2.648 -5.330 1.00 0.00 N ATOM 0 H ARG A 51 -9.112 -2.109 -6.983 1.00 0.00 H new ATOM 0 HA ARG A 51 -10.040 0.210 -5.409 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -12.259 -0.476 -6.019 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.295 -0.456 -7.483 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.149 -2.843 -7.549 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.720 -3.005 -5.900 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.500 -1.633 -7.903 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.346 -3.377 -7.983 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.860 -2.871 -5.293 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -15.417 -2.121 -8.370 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -17.043 -2.118 -7.677 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.950 -2.865 -4.411 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -17.343 -2.537 -5.447 1.00 0.00 H new ATOM 758 N PRO A 52 -10.743 -1.038 -3.338 1.00 0.00 N ATOM 759 CA PRO A 52 -10.914 -1.706 -2.045 1.00 0.00 C ATOM 760 C PRO A 52 -12.058 -2.714 -2.059 1.00 0.00 C ATOM 761 O PRO A 52 -13.071 -2.508 -2.728 1.00 0.00 O ATOM 762 CB PRO A 52 -11.229 -0.554 -1.088 1.00 0.00 C ATOM 763 CG PRO A 52 -11.818 0.506 -1.954 1.00 0.00 C ATOM 764 CD PRO A 52 -11.132 0.382 -3.286 1.00 0.00 C ATOM 0 HA PRO A 52 -10.032 -2.282 -1.765 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.928 -0.864 -0.311 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.329 -0.200 -0.585 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.895 0.373 -2.056 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.659 1.495 -1.524 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.798 0.647 -4.107 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.265 1.039 -3.354 1.00 0.00 H new ATOM 772 N ASP A 53 -11.889 -3.804 -1.319 1.00 0.00 N ATOM 773 CA ASP A 53 -12.909 -4.844 -1.246 1.00 0.00 C ATOM 774 C ASP A 53 -12.848 -5.571 0.094 1.00 0.00 C ATOM 775 O ASP A 53 -12.053 -5.222 0.966 1.00 0.00 O ATOM 776 CB ASP A 53 -12.733 -5.842 -2.391 1.00 0.00 C ATOM 777 CG ASP A 53 -12.892 -5.195 -3.752 1.00 0.00 C ATOM 778 OD1 ASP A 53 -14.045 -5.055 -4.212 1.00 0.00 O ATOM 779 OD2 ASP A 53 -11.864 -4.829 -4.359 1.00 0.00 O ATOM 0 H ASP A 53 -11.056 -3.991 -0.761 1.00 0.00 H new ATOM 0 HA ASP A 53 -13.886 -4.368 -1.337 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.746 -6.299 -2.322 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.464 -6.644 -2.286 1.00 0.00 H new ATOM 784 N SER A 54 -13.695 -6.584 0.251 1.00 0.00 N ATOM 785 CA SER A 54 -13.741 -7.358 1.486 1.00 0.00 C ATOM 786 C SER A 54 -12.345 -7.826 1.886 1.00 0.00 C ATOM 787 O SER A 54 -12.048 -7.987 3.070 1.00 0.00 O ATOM 788 CB SER A 54 -14.668 -8.564 1.323 1.00 0.00 C ATOM 789 OG SER A 54 -14.088 -9.542 0.477 1.00 0.00 O ATOM 0 H SER A 54 -14.358 -6.888 -0.462 1.00 0.00 H new ATOM 0 HA SER A 54 -14.130 -6.714 2.275 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.877 -9.001 2.300 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.622 -8.240 0.908 1.00 0.00 H new ATOM 0 HG SER A 54 -14.699 -10.303 0.390 1.00 0.00 H new ATOM 795 N ALA A 55 -11.492 -8.042 0.890 1.00 0.00 N ATOM 796 CA ALA A 55 -10.127 -8.489 1.138 1.00 0.00 C ATOM 797 C ALA A 55 -9.165 -7.307 1.203 1.00 0.00 C ATOM 798 O ALA A 55 -8.338 -7.216 2.111 1.00 0.00 O ATOM 799 CB ALA A 55 -9.689 -9.469 0.059 1.00 0.00 C ATOM 0 H ALA A 55 -11.722 -7.915 -0.096 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.106 -8.994 2.104 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.668 -9.795 0.256 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.353 -10.334 0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.732 -8.981 -0.915 1.00 0.00 H new ATOM 805 N HIS A 56 -9.279 -6.404 0.234 1.00 0.00 N ATOM 806 CA HIS A 56 -8.419 -5.227 0.182 1.00 0.00 C ATOM 807 C HIS A 56 -8.990 -4.098 1.035 1.00 0.00 C ATOM 808 O HIS A 56 -9.959 -3.443 0.649 1.00 0.00 O ATOM 809 CB HIS A 56 -8.251 -4.755 -1.263 1.00 0.00 C ATOM 810 CG HIS A 56 -7.585 -5.763 -2.148 1.00 0.00 C ATOM 811 ND1 HIS A 56 -8.228 -6.882 -2.632 1.00 0.00 N ATOM 812 CD2 HIS A 56 -6.324 -5.814 -2.639 1.00 0.00 C ATOM 813 CE1 HIS A 56 -7.391 -7.579 -3.380 1.00 0.00 C ATOM 814 NE2 HIS A 56 -6.229 -6.952 -3.401 1.00 0.00 N ATOM 0 H HIS A 56 -9.958 -6.465 -0.525 1.00 0.00 H new ATOM 0 HA HIS A 56 -7.443 -5.503 0.582 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -9.231 -4.514 -1.674 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -7.667 -3.835 -1.271 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -5.539 -5.093 -2.464 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -7.619 -8.504 -3.888 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -5.396 -7.263 -3.902 1.00 0.00 H new ATOM 822 N LYS A 57 -8.385 -3.876 2.197 1.00 0.00 N ATOM 823 CA LYS A 57 -8.832 -2.827 3.105 1.00 0.00 C ATOM 824 C LYS A 57 -7.844 -1.665 3.121 1.00 0.00 C ATOM 825 O LYS A 57 -6.703 -1.814 3.557 1.00 0.00 O ATOM 826 CB LYS A 57 -9.001 -3.387 4.519 1.00 0.00 C ATOM 827 CG LYS A 57 -9.673 -2.420 5.479 1.00 0.00 C ATOM 828 CD LYS A 57 -10.375 -3.154 6.610 1.00 0.00 C ATOM 829 CE LYS A 57 -9.378 -3.726 7.607 1.00 0.00 C ATOM 830 NZ LYS A 57 -8.526 -4.783 6.995 1.00 0.00 N ATOM 0 H LYS A 57 -7.583 -4.409 2.532 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.794 -2.458 2.750 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.588 -4.304 4.470 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.021 -3.656 4.914 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -8.928 -1.740 5.892 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.395 -1.810 4.936 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.053 -2.471 7.123 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.984 -3.960 6.200 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.745 -2.925 7.988 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.915 -4.141 8.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.278 -5.490 7.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.047 -5.245 6.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.657 -4.354 6.618 1.00 0.00 H new ATOM 844 N MET A 58 -8.292 -0.507 2.646 1.00 0.00 N ATOM 845 CA MET A 58 -7.448 0.681 2.609 1.00 0.00 C ATOM 846 C MET A 58 -7.748 1.598 3.790 1.00 0.00 C ATOM 847 O MET A 58 -8.906 1.786 4.165 1.00 0.00 O ATOM 848 CB MET A 58 -7.653 1.438 1.295 1.00 0.00 C ATOM 849 CG MET A 58 -6.780 0.932 0.159 1.00 0.00 C ATOM 850 SD MET A 58 -7.427 1.374 -1.465 1.00 0.00 S ATOM 851 CE MET A 58 -7.618 -0.245 -2.206 1.00 0.00 C ATOM 0 H MET A 58 -9.234 -0.367 2.282 1.00 0.00 H new ATOM 0 HA MET A 58 -6.409 0.360 2.676 1.00 0.00 H new ATOM 0 HB2 MET A 58 -8.699 1.360 1.000 1.00 0.00 H new ATOM 0 HB3 MET A 58 -7.445 2.495 1.458 1.00 0.00 H new ATOM 0 HG2 MET A 58 -5.775 1.340 0.269 1.00 0.00 H new ATOM 0 HG3 MET A 58 -6.693 -0.152 0.228 1.00 0.00 H new ATOM 0 HE1 MET A 58 -8.157 -0.152 -3.149 1.00 0.00 H new ATOM 0 HE2 MET A 58 -6.635 -0.679 -2.391 1.00 0.00 H new ATOM 0 HE3 MET A 58 -8.179 -0.891 -1.530 1.00 0.00 H new ATOM 861 N LEU A 59 -6.699 2.167 4.373 1.00 0.00 N ATOM 862 CA LEU A 59 -6.850 3.065 5.513 1.00 0.00 C ATOM 863 C LEU A 59 -6.357 4.467 5.171 1.00 0.00 C ATOM 864 O LEU A 59 -5.395 4.632 4.421 1.00 0.00 O ATOM 865 CB LEU A 59 -6.083 2.522 6.720 1.00 0.00 C ATOM 866 CG LEU A 59 -6.526 1.153 7.237 1.00 0.00 C ATOM 867 CD1 LEU A 59 -5.527 0.617 8.251 1.00 0.00 C ATOM 868 CD2 LEU A 59 -7.917 1.238 7.849 1.00 0.00 C ATOM 0 H LEU A 59 -5.734 2.023 4.075 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.910 3.123 5.760 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.027 2.464 6.458 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.171 3.241 7.534 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.564 0.462 6.394 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.859 -0.358 8.608 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.549 0.518 7.781 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.457 1.307 9.092 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.216 0.254 8.212 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.906 1.943 8.680 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.626 1.577 7.094 1.00 0.00 H new ATOM 880 N VAL A 60 -7.022 5.475 5.727 1.00 0.00 N ATOM 881 CA VAL A 60 -6.649 6.863 5.484 1.00 0.00 C ATOM 882 C VAL A 60 -6.528 7.637 6.792 1.00 0.00 C ATOM 883 O VAL A 60 -7.521 8.128 7.329 1.00 0.00 O ATOM 884 CB VAL A 60 -7.674 7.569 4.576 1.00 0.00 C ATOM 885 CG1 VAL A 60 -7.284 9.023 4.359 1.00 0.00 C ATOM 886 CG2 VAL A 60 -7.801 6.838 3.248 1.00 0.00 C ATOM 0 H VAL A 60 -7.822 5.356 6.349 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.681 6.847 4.983 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.645 7.549 5.070 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.020 9.505 3.715 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.249 9.538 5.319 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.303 9.070 3.887 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.529 7.350 2.619 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.834 6.825 2.746 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.132 5.815 3.426 1.00 0.00 H new ATOM 896 N ARG A 61 -5.304 7.742 7.300 1.00 0.00 N ATOM 897 CA ARG A 61 -5.053 8.455 8.546 1.00 0.00 C ATOM 898 C ARG A 61 -5.263 9.956 8.365 1.00 0.00 C ATOM 899 O ARG A 61 -5.374 10.445 7.242 1.00 0.00 O ATOM 900 CB ARG A 61 -3.629 8.184 9.036 1.00 0.00 C ATOM 901 CG ARG A 61 -3.281 6.706 9.107 1.00 0.00 C ATOM 902 CD ARG A 61 -3.978 6.025 10.274 1.00 0.00 C ATOM 903 NE ARG A 61 -3.419 6.435 11.560 1.00 0.00 N ATOM 904 CZ ARG A 61 -3.799 5.919 12.724 1.00 0.00 C ATOM 905 NH1 ARG A 61 -4.732 4.978 12.763 1.00 0.00 N ATOM 906 NH2 ARG A 61 -3.243 6.343 13.852 1.00 0.00 N ATOM 0 H ARG A 61 -4.471 7.342 6.868 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.761 8.093 9.291 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.924 8.683 8.371 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.503 8.626 10.024 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.568 6.218 8.175 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.202 6.590 9.208 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.042 6.262 10.249 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.889 4.944 10.168 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.698 7.156 11.565 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.160 4.648 11.898 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.022 4.584 13.658 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.523 7.065 13.826 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.535 5.946 14.745 1.00 0.00 H new ATOM 920 N GLU A 62 -5.316 10.679 9.479 1.00 0.00 N ATOM 921 CA GLU A 62 -5.514 12.124 9.442 1.00 0.00 C ATOM 922 C GLU A 62 -4.185 12.859 9.591 1.00 0.00 C ATOM 923 O GLU A 62 -4.116 14.077 9.430 1.00 0.00 O ATOM 924 CB GLU A 62 -6.476 12.557 10.550 1.00 0.00 C ATOM 925 CG GLU A 62 -7.264 13.813 10.215 1.00 0.00 C ATOM 926 CD GLU A 62 -8.305 14.146 11.267 1.00 0.00 C ATOM 927 OE1 GLU A 62 -8.039 13.906 12.463 1.00 0.00 O ATOM 928 OE2 GLU A 62 -9.386 14.647 10.893 1.00 0.00 O ATOM 0 H GLU A 62 -5.225 10.289 10.417 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.945 12.382 8.475 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.173 11.744 10.753 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.910 12.727 11.466 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.576 14.652 10.111 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.756 13.683 9.251 1.00 0.00 H new ATOM 935 N ASN A 63 -3.132 12.109 9.900 1.00 0.00 N ATOM 936 CA ASN A 63 -1.805 12.689 10.072 1.00 0.00 C ATOM 937 C ASN A 63 -0.922 12.394 8.864 1.00 0.00 C ATOM 938 O ASN A 63 0.284 12.192 8.998 1.00 0.00 O ATOM 939 CB ASN A 63 -1.149 12.145 11.343 1.00 0.00 C ATOM 940 CG ASN A 63 -1.897 12.549 12.598 1.00 0.00 C ATOM 941 OD1 ASN A 63 -2.433 13.654 12.686 1.00 0.00 O ATOM 942 ND2 ASN A 63 -1.936 11.654 13.578 1.00 0.00 N ATOM 0 H ASN A 63 -3.172 11.099 10.036 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.917 13.769 10.163 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.100 11.058 11.287 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.123 12.507 11.403 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -2.424 11.870 14.447 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -1.478 10.750 13.462 1.00 0.00 H new ATOM 949 N GLY A 64 -1.532 12.371 7.683 1.00 0.00 N ATOM 950 CA GLY A 64 -0.787 12.100 6.467 1.00 0.00 C ATOM 951 C GLY A 64 -0.156 10.722 6.469 1.00 0.00 C ATOM 952 O GLY A 64 1.066 10.590 6.528 1.00 0.00 O ATOM 0 H GLY A 64 -2.529 12.535 7.546 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.453 12.190 5.609 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.008 12.853 6.346 1.00 0.00 H new ATOM 956 N VAL A 65 -0.992 9.690 6.405 1.00 0.00 N ATOM 957 CA VAL A 65 -0.510 8.314 6.400 1.00 0.00 C ATOM 958 C VAL A 65 -1.532 7.376 5.768 1.00 0.00 C ATOM 959 O VAL A 65 -2.739 7.547 5.942 1.00 0.00 O ATOM 960 CB VAL A 65 -0.193 7.825 7.826 1.00 0.00 C ATOM 961 CG1 VAL A 65 -0.069 6.309 7.856 1.00 0.00 C ATOM 962 CG2 VAL A 65 1.077 8.483 8.345 1.00 0.00 C ATOM 0 H VAL A 65 -2.007 9.781 6.356 1.00 0.00 H new ATOM 0 HA VAL A 65 0.405 8.301 5.808 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.016 8.111 8.481 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.155 5.982 8.871 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.007 5.861 7.529 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.734 5.996 7.189 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.286 8.126 9.354 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.911 8.230 7.691 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.945 9.565 8.363 1.00 0.00 H new ATOM 972 N HIS A 66 -1.041 6.383 5.033 1.00 0.00 N ATOM 973 CA HIS A 66 -1.911 5.416 4.375 1.00 0.00 C ATOM 974 C HIS A 66 -1.400 3.994 4.586 1.00 0.00 C ATOM 975 O HIS A 66 -0.214 3.781 4.838 1.00 0.00 O ATOM 976 CB HIS A 66 -2.008 5.719 2.880 1.00 0.00 C ATOM 977 CG HIS A 66 -3.107 6.676 2.533 1.00 0.00 C ATOM 978 ND1 HIS A 66 -3.263 7.899 3.150 1.00 0.00 N ATOM 979 CD2 HIS A 66 -4.107 6.584 1.626 1.00 0.00 C ATOM 980 CE1 HIS A 66 -4.312 8.518 2.638 1.00 0.00 C ATOM 981 NE2 HIS A 66 -4.842 7.742 1.711 1.00 0.00 N ATOM 0 H HIS A 66 -0.045 6.227 4.878 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.903 5.496 4.819 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -1.058 6.130 2.539 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.165 4.786 2.338 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.293 5.755 0.959 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -4.674 9.493 2.929 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.663 7.966 1.149 1.00 0.00 H new ATOM 989 N SER A 67 -2.303 3.024 4.480 1.00 0.00 N ATOM 990 CA SER A 67 -1.944 1.622 4.663 1.00 0.00 C ATOM 991 C SER A 67 -2.815 0.720 3.793 1.00 0.00 C ATOM 992 O SER A 67 -4.007 0.972 3.616 1.00 0.00 O ATOM 993 CB SER A 67 -2.088 1.225 6.134 1.00 0.00 C ATOM 994 OG SER A 67 -0.968 1.651 6.889 1.00 0.00 O ATOM 0 H SER A 67 -3.288 3.183 4.268 1.00 0.00 H new ATOM 0 HA SER A 67 -0.905 1.496 4.360 1.00 0.00 H new ATOM 0 HB2 SER A 67 -2.996 1.665 6.545 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.194 0.143 6.213 1.00 0.00 H new ATOM 0 HG SER A 67 -0.542 2.412 6.442 1.00 0.00 H new ATOM 1000 N LEU A 68 -2.210 -0.332 3.253 1.00 0.00 N ATOM 1001 CA LEU A 68 -2.929 -1.273 2.401 1.00 0.00 C ATOM 1002 C LEU A 68 -2.894 -2.679 2.991 1.00 0.00 C ATOM 1003 O LEU A 68 -1.918 -3.411 2.819 1.00 0.00 O ATOM 1004 CB LEU A 68 -2.325 -1.282 0.995 1.00 0.00 C ATOM 1005 CG LEU A 68 -2.938 -2.276 0.008 1.00 0.00 C ATOM 1006 CD1 LEU A 68 -4.424 -2.008 -0.166 1.00 0.00 C ATOM 1007 CD2 LEU A 68 -2.221 -2.207 -1.332 1.00 0.00 C ATOM 0 H LEU A 68 -1.224 -0.555 3.390 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.968 -0.950 2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.417 -0.280 0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.259 -1.495 1.080 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.816 -3.281 0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.843 -2.725 -0.872 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.927 -2.109 0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.569 -0.997 -0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.670 -2.921 -2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.311 -1.201 -1.741 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.167 -2.450 -1.194 1.00 0.00 H new ATOM 1019 N ILE A 69 -3.964 -3.050 3.686 1.00 0.00 N ATOM 1020 CA ILE A 69 -4.056 -4.369 4.299 1.00 0.00 C ATOM 1021 C ILE A 69 -4.893 -5.315 3.444 1.00 0.00 C ATOM 1022 O ILE A 69 -6.071 -5.061 3.190 1.00 0.00 O ATOM 1023 CB ILE A 69 -4.669 -4.293 5.710 1.00 0.00 C ATOM 1024 CG1 ILE A 69 -3.830 -3.379 6.605 1.00 0.00 C ATOM 1025 CG2 ILE A 69 -4.777 -5.684 6.316 1.00 0.00 C ATOM 1026 CD1 ILE A 69 -4.528 -2.984 7.888 1.00 0.00 C ATOM 0 H ILE A 69 -4.779 -2.456 3.839 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.039 -4.754 4.374 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.672 -3.873 5.633 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.895 -3.882 6.850 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.571 -2.478 6.049 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.212 -5.614 7.313 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.412 -6.307 5.686 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.784 -6.129 6.384 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.875 -2.336 8.473 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.450 -2.452 7.652 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.763 -3.879 8.465 1.00 0.00 H new ATOM 1038 N ILE A 70 -4.277 -6.407 3.004 1.00 0.00 N ATOM 1039 CA ILE A 70 -4.965 -7.392 2.180 1.00 0.00 C ATOM 1040 C ILE A 70 -5.112 -8.719 2.917 1.00 0.00 C ATOM 1041 O ILE A 70 -4.120 -9.371 3.244 1.00 0.00 O ATOM 1042 CB ILE A 70 -4.222 -7.634 0.852 1.00 0.00 C ATOM 1043 CG1 ILE A 70 -4.052 -6.318 0.091 1.00 0.00 C ATOM 1044 CG2 ILE A 70 -4.972 -8.651 0.004 1.00 0.00 C ATOM 1045 CD1 ILE A 70 -2.903 -6.334 -0.893 1.00 0.00 C ATOM 0 H ILE A 70 -3.302 -6.632 3.205 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.954 -6.987 1.964 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.232 -8.034 1.073 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.975 -6.095 -0.444 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.896 -5.511 0.807 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.435 -8.812 -0.931 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.046 -9.593 0.547 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -5.973 -8.277 -0.212 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.842 -5.369 -1.396 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.971 -6.526 -0.361 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.067 -7.119 -1.631 1.00 0.00 H new ATOM 1057 N GLU A 71 -6.355 -9.114 3.173 1.00 0.00 N ATOM 1058 CA GLU A 71 -6.631 -10.365 3.870 1.00 0.00 C ATOM 1059 C GLU A 71 -8.040 -10.860 3.562 1.00 0.00 C ATOM 1060 O GLU A 71 -9.032 -10.165 3.783 1.00 0.00 O ATOM 1061 CB GLU A 71 -6.461 -10.180 5.380 1.00 0.00 C ATOM 1062 CG GLU A 71 -6.546 -11.479 6.165 1.00 0.00 C ATOM 1063 CD GLU A 71 -7.801 -12.269 5.852 1.00 0.00 C ATOM 1064 OE1 GLU A 71 -8.909 -11.731 6.059 1.00 0.00 O ATOM 1065 OE2 GLU A 71 -7.676 -13.426 5.400 1.00 0.00 O ATOM 0 H GLU A 71 -7.187 -8.586 2.908 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.919 -11.112 3.520 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.497 -9.710 5.574 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.228 -9.495 5.742 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.672 -12.091 5.943 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.518 -11.257 7.232 1.00 0.00 H new ATOM 1072 N PRO A 72 -8.133 -12.091 3.038 1.00 0.00 N ATOM 1073 CA PRO A 72 -6.959 -12.928 2.770 1.00 0.00 C ATOM 1074 C PRO A 72 -6.118 -12.393 1.615 1.00 0.00 C ATOM 1075 O PRO A 72 -6.495 -11.425 0.956 1.00 0.00 O ATOM 1076 CB PRO A 72 -7.567 -14.285 2.405 1.00 0.00 C ATOM 1077 CG PRO A 72 -8.928 -13.965 1.892 1.00 0.00 C ATOM 1078 CD PRO A 72 -9.390 -12.762 2.666 1.00 0.00 C ATOM 0 HA PRO A 72 -6.281 -12.965 3.623 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.970 -14.796 1.650 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.616 -14.943 3.273 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.903 -13.755 0.823 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -9.607 -14.806 2.036 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -10.027 -12.116 2.062 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.968 -13.048 3.545 1.00 0.00 H new ATOM 1086 N VAL A 73 -4.977 -13.032 1.376 1.00 0.00 N ATOM 1087 CA VAL A 73 -4.083 -12.621 0.300 1.00 0.00 C ATOM 1088 C VAL A 73 -4.152 -13.593 -0.873 1.00 0.00 C ATOM 1089 O VAL A 73 -4.229 -14.807 -0.684 1.00 0.00 O ATOM 1090 CB VAL A 73 -2.625 -12.525 0.787 1.00 0.00 C ATOM 1091 CG1 VAL A 73 -1.666 -12.524 -0.394 1.00 0.00 C ATOM 1092 CG2 VAL A 73 -2.431 -11.283 1.643 1.00 0.00 C ATOM 0 H VAL A 73 -4.650 -13.836 1.913 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.414 -11.636 -0.028 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.406 -13.399 1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.641 -12.456 -0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.788 -13.446 -0.963 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.881 -11.670 -1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.395 -11.231 1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.667 -10.396 1.056 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.091 -11.331 2.509 1.00 0.00 H new ATOM 1102 N THR A 74 -4.125 -13.050 -2.086 1.00 0.00 N ATOM 1103 CA THR A 74 -4.185 -13.868 -3.291 1.00 0.00 C ATOM 1104 C THR A 74 -2.976 -13.620 -4.185 1.00 0.00 C ATOM 1105 O THR A 74 -2.368 -12.551 -4.141 1.00 0.00 O ATOM 1106 CB THR A 74 -5.470 -13.591 -4.095 1.00 0.00 C ATOM 1107 OG1 THR A 74 -5.790 -12.196 -4.040 1.00 0.00 O ATOM 1108 CG2 THR A 74 -6.634 -14.405 -3.553 1.00 0.00 C ATOM 0 H THR A 74 -4.062 -12.047 -2.260 1.00 0.00 H new ATOM 0 HA THR A 74 -4.186 -14.909 -2.967 1.00 0.00 H new ATOM 0 HB THR A 74 -5.295 -13.883 -5.130 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.759 -12.086 -3.944 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.530 -14.192 -4.137 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.399 -15.467 -3.623 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.809 -14.140 -2.510 1.00 0.00 H new ATOM 1116 N SER A 75 -2.632 -14.615 -4.997 1.00 0.00 N ATOM 1117 CA SER A 75 -1.493 -14.506 -5.900 1.00 0.00 C ATOM 1118 C SER A 75 -1.487 -13.153 -6.606 1.00 0.00 C ATOM 1119 O SER A 75 -0.437 -12.530 -6.768 1.00 0.00 O ATOM 1120 CB SER A 75 -1.525 -15.633 -6.934 1.00 0.00 C ATOM 1121 OG SER A 75 -0.536 -15.438 -7.931 1.00 0.00 O ATOM 0 H SER A 75 -3.126 -15.506 -5.048 1.00 0.00 H new ATOM 0 HA SER A 75 -0.582 -14.592 -5.308 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.363 -16.590 -6.439 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.510 -15.677 -7.398 1.00 0.00 H new ATOM 0 HG SER A 75 -0.576 -16.172 -8.579 1.00 0.00 H new ATOM 1127 N ARG A 76 -2.666 -12.705 -7.023 1.00 0.00 N ATOM 1128 CA ARG A 76 -2.798 -11.427 -7.712 1.00 0.00 C ATOM 1129 C ARG A 76 -2.163 -10.302 -6.898 1.00 0.00 C ATOM 1130 O ARG A 76 -1.569 -9.379 -7.455 1.00 0.00 O ATOM 1131 CB ARG A 76 -4.272 -11.113 -7.972 1.00 0.00 C ATOM 1132 CG ARG A 76 -5.070 -10.843 -6.706 1.00 0.00 C ATOM 1133 CD ARG A 76 -6.566 -10.952 -6.957 1.00 0.00 C ATOM 1134 NE ARG A 76 -7.130 -9.700 -7.454 1.00 0.00 N ATOM 1135 CZ ARG A 76 -8.434 -9.470 -7.555 1.00 0.00 C ATOM 1136 NH1 ARG A 76 -9.305 -10.402 -7.193 1.00 0.00 N ATOM 1137 NH2 ARG A 76 -8.870 -8.305 -8.017 1.00 0.00 N ATOM 0 H ARG A 76 -3.544 -13.208 -6.896 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.276 -11.502 -8.666 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.340 -10.244 -8.626 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.724 -11.949 -8.505 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.777 -11.552 -5.932 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.834 -9.847 -6.331 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -6.756 -11.747 -7.679 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.069 -11.234 -6.032 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.487 -8.961 -7.739 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -8.974 -11.298 -6.836 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -10.306 -10.223 -7.272 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -8.203 -7.585 -8.295 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -9.872 -8.130 -8.094 1.00 0.00 H new ATOM 1151 N ASP A 77 -2.294 -10.387 -5.579 1.00 0.00 N ATOM 1152 CA ASP A 77 -1.733 -9.378 -4.688 1.00 0.00 C ATOM 1153 C ASP A 77 -0.258 -9.140 -4.997 1.00 0.00 C ATOM 1154 O ASP A 77 0.264 -8.048 -4.776 1.00 0.00 O ATOM 1155 CB ASP A 77 -1.899 -9.806 -3.229 1.00 0.00 C ATOM 1156 CG ASP A 77 -0.737 -10.646 -2.737 1.00 0.00 C ATOM 1157 OD1 ASP A 77 -0.242 -11.489 -3.514 1.00 0.00 O ATOM 1158 OD2 ASP A 77 -0.322 -10.459 -1.574 1.00 0.00 O ATOM 0 H ASP A 77 -2.784 -11.144 -5.103 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.274 -8.446 -4.848 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -1.994 -8.920 -2.602 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.824 -10.373 -3.122 1.00 0.00 H new ATOM 1163 N ALA A 78 0.408 -10.170 -5.508 1.00 0.00 N ATOM 1164 CA ALA A 78 1.822 -10.073 -5.848 1.00 0.00 C ATOM 1165 C ALA A 78 2.031 -9.205 -7.084 1.00 0.00 C ATOM 1166 O ALA A 78 1.316 -9.338 -8.076 1.00 0.00 O ATOM 1167 CB ALA A 78 2.408 -11.459 -6.069 1.00 0.00 C ATOM 0 H ALA A 78 -0.009 -11.082 -5.696 1.00 0.00 H new ATOM 0 HA ALA A 78 2.339 -9.601 -5.013 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.465 -11.371 -6.322 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.301 -12.049 -5.159 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.879 -11.952 -6.885 1.00 0.00 H new ATOM 1173 N GLY A 79 3.016 -8.314 -7.016 1.00 0.00 N ATOM 1174 CA GLY A 79 3.300 -7.437 -8.137 1.00 0.00 C ATOM 1175 C GLY A 79 4.030 -6.177 -7.715 1.00 0.00 C ATOM 1176 O GLY A 79 4.478 -6.063 -6.574 1.00 0.00 O ATOM 0 H GLY A 79 3.622 -8.184 -6.206 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.901 -7.973 -8.871 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.366 -7.165 -8.628 1.00 0.00 H new ATOM 1180 N ILE A 80 4.152 -5.229 -8.638 1.00 0.00 N ATOM 1181 CA ILE A 80 4.833 -3.971 -8.356 1.00 0.00 C ATOM 1182 C ILE A 80 3.834 -2.857 -8.066 1.00 0.00 C ATOM 1183 O ILE A 80 3.243 -2.285 -8.983 1.00 0.00 O ATOM 1184 CB ILE A 80 5.735 -3.544 -9.529 1.00 0.00 C ATOM 1185 CG1 ILE A 80 6.713 -4.666 -9.885 1.00 0.00 C ATOM 1186 CG2 ILE A 80 6.488 -2.268 -9.182 1.00 0.00 C ATOM 1187 CD1 ILE A 80 7.600 -5.082 -8.732 1.00 0.00 C ATOM 0 H ILE A 80 3.788 -5.308 -9.588 1.00 0.00 H new ATOM 0 HA ILE A 80 5.452 -4.139 -7.474 1.00 0.00 H new ATOM 0 HB ILE A 80 5.106 -3.347 -10.397 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.149 -5.533 -10.230 1.00 0.00 H new ATOM 0 HG13 ILE A 80 7.339 -4.341 -10.716 1.00 0.00 H new ATOM 0 HG21 ILE A 80 7.121 -1.979 -10.021 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.775 -1.470 -8.974 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.108 -2.439 -8.302 1.00 0.00 H new ATOM 0 HD11 ILE A 80 8.267 -5.881 -9.056 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.190 -4.228 -8.401 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.982 -5.438 -7.908 1.00 0.00 H new ATOM 1199 N TYR A 81 3.650 -2.553 -6.786 1.00 0.00 N ATOM 1200 CA TYR A 81 2.721 -1.507 -6.375 1.00 0.00 C ATOM 1201 C TYR A 81 3.344 -0.126 -6.549 1.00 0.00 C ATOM 1202 O TYR A 81 4.293 0.234 -5.852 1.00 0.00 O ATOM 1203 CB TYR A 81 2.305 -1.711 -4.917 1.00 0.00 C ATOM 1204 CG TYR A 81 1.375 -2.886 -4.711 1.00 0.00 C ATOM 1205 CD1 TYR A 81 1.876 -4.160 -4.477 1.00 0.00 C ATOM 1206 CD2 TYR A 81 -0.004 -2.720 -4.749 1.00 0.00 C ATOM 1207 CE1 TYR A 81 1.031 -5.236 -4.289 1.00 0.00 C ATOM 1208 CE2 TYR A 81 -0.857 -3.791 -4.560 1.00 0.00 C ATOM 1209 CZ TYR A 81 -0.335 -5.047 -4.331 1.00 0.00 C ATOM 1210 OH TYR A 81 -1.180 -6.116 -4.143 1.00 0.00 O ATOM 0 H TYR A 81 4.132 -3.016 -6.015 1.00 0.00 H new ATOM 0 HA TYR A 81 1.838 -1.570 -7.011 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.199 -1.855 -4.310 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.817 -0.805 -4.557 1.00 0.00 H new ATOM 0 HD1 TYR A 81 2.945 -4.312 -4.441 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.416 -1.738 -4.929 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.437 -6.220 -4.110 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -1.927 -3.645 -4.591 1.00 0.00 H new ATOM 0 HH TYR A 81 -0.658 -6.904 -3.883 1.00 0.00 H new ATOM 1220 N THR A 82 2.802 0.647 -7.486 1.00 0.00 N ATOM 1221 CA THR A 82 3.303 1.989 -7.754 1.00 0.00 C ATOM 1222 C THR A 82 2.280 3.047 -7.358 1.00 0.00 C ATOM 1223 O THR A 82 1.305 3.281 -8.073 1.00 0.00 O ATOM 1224 CB THR A 82 3.660 2.168 -9.242 1.00 0.00 C ATOM 1225 OG1 THR A 82 4.678 1.234 -9.618 1.00 0.00 O ATOM 1226 CG2 THR A 82 4.138 3.586 -9.517 1.00 0.00 C ATOM 0 H THR A 82 2.016 0.366 -8.072 1.00 0.00 H new ATOM 0 HA THR A 82 4.204 2.116 -7.154 1.00 0.00 H new ATOM 0 HB THR A 82 2.763 1.983 -9.833 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.898 1.353 -10.566 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.384 3.688 -10.574 1.00 0.00 H new ATOM 0 HG22 THR A 82 3.349 4.292 -9.258 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.023 3.794 -8.916 1.00 0.00 H new ATOM 1234 N CYS A 83 2.508 3.684 -6.215 1.00 0.00 N ATOM 1235 CA CYS A 83 1.605 4.719 -5.723 1.00 0.00 C ATOM 1236 C CYS A 83 2.139 6.109 -6.055 1.00 0.00 C ATOM 1237 O CYS A 83 3.329 6.382 -5.893 1.00 0.00 O ATOM 1238 CB CYS A 83 1.413 4.581 -4.212 1.00 0.00 C ATOM 1239 SG CYS A 83 -0.199 5.146 -3.619 1.00 0.00 S ATOM 0 H CYS A 83 3.310 3.502 -5.612 1.00 0.00 H new ATOM 0 HA CYS A 83 0.642 4.592 -6.218 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.545 3.535 -3.934 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.194 5.147 -3.704 1.00 0.00 H new ATOM 0 HG CYS A 83 -0.891 5.609 -4.618 1.00 0.00 H new ATOM 1245 N ILE A 84 1.252 6.982 -6.521 1.00 0.00 N ATOM 1246 CA ILE A 84 1.635 8.343 -6.876 1.00 0.00 C ATOM 1247 C ILE A 84 0.874 9.364 -6.037 1.00 0.00 C ATOM 1248 O ILE A 84 -0.355 9.424 -6.078 1.00 0.00 O ATOM 1249 CB ILE A 84 1.380 8.628 -8.368 1.00 0.00 C ATOM 1250 CG1 ILE A 84 2.178 7.656 -9.239 1.00 0.00 C ATOM 1251 CG2 ILE A 84 1.743 10.067 -8.701 1.00 0.00 C ATOM 1252 CD1 ILE A 84 1.448 6.362 -9.524 1.00 0.00 C ATOM 0 H ILE A 84 0.264 6.771 -6.661 1.00 0.00 H new ATOM 0 HA ILE A 84 2.702 8.434 -6.675 1.00 0.00 H new ATOM 0 HB ILE A 84 0.319 8.484 -8.575 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.421 8.143 -10.184 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.123 7.430 -8.745 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.558 10.254 -9.759 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.135 10.744 -8.101 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.797 10.236 -8.482 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.073 5.721 -10.146 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.229 5.854 -8.585 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.516 6.578 -10.046 1.00 0.00 H new ATOM 1264 N ALA A 85 1.613 10.167 -5.278 1.00 0.00 N ATOM 1265 CA ALA A 85 1.008 11.189 -4.433 1.00 0.00 C ATOM 1266 C ALA A 85 1.067 12.559 -5.100 1.00 0.00 C ATOM 1267 O ALA A 85 2.147 13.108 -5.321 1.00 0.00 O ATOM 1268 CB ALA A 85 1.699 11.229 -3.078 1.00 0.00 C ATOM 0 H ALA A 85 2.631 10.129 -5.231 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.041 10.931 -4.287 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.237 11.997 -2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.600 10.259 -2.590 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.755 11.460 -3.215 1.00 0.00 H new ATOM 1274 N THR A 86 -0.101 13.107 -5.420 1.00 0.00 N ATOM 1275 CA THR A 86 -0.182 14.412 -6.064 1.00 0.00 C ATOM 1276 C THR A 86 -0.776 15.453 -5.123 1.00 0.00 C ATOM 1277 O THR A 86 -1.956 15.395 -4.783 1.00 0.00 O ATOM 1278 CB THR A 86 -1.031 14.353 -7.348 1.00 0.00 C ATOM 1279 OG1 THR A 86 -0.849 13.091 -7.999 1.00 0.00 O ATOM 1280 CG2 THR A 86 -0.652 15.479 -8.299 1.00 0.00 C ATOM 0 H THR A 86 -1.004 12.667 -5.244 1.00 0.00 H new ATOM 0 HA THR A 86 0.837 14.700 -6.324 1.00 0.00 H new ATOM 0 HB THR A 86 -2.078 14.470 -7.070 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.394 13.061 -8.813 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.264 15.417 -9.199 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.820 16.439 -7.811 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.400 15.388 -8.569 1.00 0.00 H new ATOM 1288 N ASN A 87 0.051 16.407 -4.706 1.00 0.00 N ATOM 1289 CA ASN A 87 -0.394 17.463 -3.803 1.00 0.00 C ATOM 1290 C ASN A 87 -0.316 18.827 -4.481 1.00 0.00 C ATOM 1291 O ASN A 87 0.446 19.018 -5.429 1.00 0.00 O ATOM 1292 CB ASN A 87 0.455 17.465 -2.530 1.00 0.00 C ATOM 1293 CG ASN A 87 -0.277 18.072 -1.349 1.00 0.00 C ATOM 1294 OD1 ASN A 87 -1.507 18.068 -1.297 1.00 0.00 O ATOM 1295 ND2 ASN A 87 0.479 18.600 -0.392 1.00 0.00 N ATOM 0 H ASN A 87 1.032 16.470 -4.979 1.00 0.00 H new ATOM 0 HA ASN A 87 -1.433 17.267 -3.539 1.00 0.00 H new ATOM 0 HB2 ASN A 87 0.745 16.442 -2.288 1.00 0.00 H new ATOM 0 HB3 ASN A 87 1.374 18.023 -2.710 1.00 0.00 H new ATOM 0 HD21 ASN A 87 0.043 19.024 0.427 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.495 18.581 -0.476 1.00 0.00 H new ATOM 1302 N ARG A 88 -1.110 19.773 -3.989 1.00 0.00 N ATOM 1303 CA ARG A 88 -1.131 21.119 -4.548 1.00 0.00 C ATOM 1304 C ARG A 88 0.285 21.615 -4.827 1.00 0.00 C ATOM 1305 O ARG A 88 0.497 22.459 -5.697 1.00 0.00 O ATOM 1306 CB ARG A 88 -1.840 22.080 -3.591 1.00 0.00 C ATOM 1307 CG ARG A 88 -3.352 22.091 -3.748 1.00 0.00 C ATOM 1308 CD ARG A 88 -3.787 23.003 -4.884 1.00 0.00 C ATOM 1309 NE ARG A 88 -5.236 23.184 -4.916 1.00 0.00 N ATOM 1310 CZ ARG A 88 -5.901 23.946 -4.054 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -5.250 24.594 -3.098 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -7.219 24.060 -4.147 1.00 0.00 N ATOM 0 H ARG A 88 -1.747 19.632 -3.205 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.678 21.085 -5.490 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.592 21.807 -2.565 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.459 23.088 -3.754 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.707 21.078 -3.937 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.813 22.422 -2.817 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.303 23.973 -4.776 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.453 22.584 -5.833 1.00 0.00 H new ATOM 0 HE ARG A 88 -5.767 22.699 -5.640 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.236 24.508 -3.023 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.763 25.178 -2.438 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -7.723 23.562 -4.881 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -7.728 24.645 -3.485 1.00 0.00 H new ATOM 1326 N ALA A 89 1.249 21.084 -4.083 1.00 0.00 N ATOM 1327 CA ALA A 89 2.645 21.470 -4.252 1.00 0.00 C ATOM 1328 C ALA A 89 3.259 20.791 -5.471 1.00 0.00 C ATOM 1329 O ALA A 89 3.729 21.456 -6.393 1.00 0.00 O ATOM 1330 CB ALA A 89 3.441 21.133 -3.000 1.00 0.00 C ATOM 0 H ALA A 89 1.089 20.385 -3.357 1.00 0.00 H new ATOM 0 HA ALA A 89 2.681 22.547 -4.413 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.481 21.427 -3.140 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.024 21.670 -2.148 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.389 20.060 -2.813 1.00 0.00 H new ATOM 1336 N GLY A 90 3.253 19.461 -5.468 1.00 0.00 N ATOM 1337 CA GLY A 90 3.814 18.715 -6.578 1.00 0.00 C ATOM 1338 C GLY A 90 3.288 17.295 -6.647 1.00 0.00 C ATOM 1339 O GLY A 90 2.168 17.020 -6.216 1.00 0.00 O ATOM 0 H GLY A 90 2.870 18.888 -4.716 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.584 19.230 -7.511 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.900 18.693 -6.485 1.00 0.00 H new ATOM 1343 N GLN A 91 4.096 16.391 -7.191 1.00 0.00 N ATOM 1344 CA GLN A 91 3.704 14.992 -7.316 1.00 0.00 C ATOM 1345 C GLN A 91 4.899 14.070 -7.099 1.00 0.00 C ATOM 1346 O GLN A 91 6.025 14.400 -7.469 1.00 0.00 O ATOM 1347 CB GLN A 91 3.089 14.734 -8.693 1.00 0.00 C ATOM 1348 CG GLN A 91 2.965 13.259 -9.037 1.00 0.00 C ATOM 1349 CD GLN A 91 2.696 13.024 -10.510 1.00 0.00 C ATOM 1350 OE1 GLN A 91 3.466 12.348 -11.194 1.00 0.00 O ATOM 1351 NE2 GLN A 91 1.599 13.583 -11.009 1.00 0.00 N ATOM 0 H GLN A 91 5.026 16.602 -7.552 1.00 0.00 H new ATOM 0 HA GLN A 91 2.960 14.779 -6.548 1.00 0.00 H new ATOM 0 HB2 GLN A 91 2.101 15.192 -8.732 1.00 0.00 H new ATOM 0 HB3 GLN A 91 3.698 15.226 -9.452 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.883 12.745 -8.753 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.159 12.819 -8.450 1.00 0.00 H new ATOM 0 HE21 GLN A 91 0.989 14.135 -10.407 1.00 0.00 H new ATOM 0 HE22 GLN A 91 1.367 13.460 -11.995 1.00 0.00 H new ATOM 1360 N ASN A 92 4.645 12.913 -6.496 1.00 0.00 N ATOM 1361 CA ASN A 92 5.701 11.943 -6.228 1.00 0.00 C ATOM 1362 C ASN A 92 5.188 10.517 -6.407 1.00 0.00 C ATOM 1363 O ASN A 92 3.980 10.278 -6.414 1.00 0.00 O ATOM 1364 CB ASN A 92 6.244 12.127 -4.810 1.00 0.00 C ATOM 1365 CG ASN A 92 7.663 11.613 -4.663 1.00 0.00 C ATOM 1366 OD1 ASN A 92 8.603 12.189 -5.210 1.00 0.00 O ATOM 1367 ND2 ASN A 92 7.824 10.524 -3.920 1.00 0.00 N ATOM 0 H ASN A 92 3.718 12.624 -6.184 1.00 0.00 H new ATOM 0 HA ASN A 92 6.506 12.113 -6.943 1.00 0.00 H new ATOM 0 HB2 ASN A 92 6.214 13.184 -4.547 1.00 0.00 H new ATOM 0 HB3 ASN A 92 5.597 11.605 -4.105 1.00 0.00 H new ATOM 0 HD21 ASN A 92 8.756 10.132 -3.784 1.00 0.00 H new ATOM 0 HD22 ASN A 92 7.016 10.079 -3.485 1.00 0.00 H new ATOM 1374 N SER A 93 6.114 9.575 -6.552 1.00 0.00 N ATOM 1375 CA SER A 93 5.756 8.173 -6.734 1.00 0.00 C ATOM 1376 C SER A 93 6.825 7.258 -6.145 1.00 0.00 C ATOM 1377 O SER A 93 7.955 7.682 -5.899 1.00 0.00 O ATOM 1378 CB SER A 93 5.565 7.863 -8.220 1.00 0.00 C ATOM 1379 OG SER A 93 6.813 7.735 -8.879 1.00 0.00 O ATOM 0 H SER A 93 7.118 9.757 -6.547 1.00 0.00 H new ATOM 0 HA SER A 93 4.818 7.992 -6.209 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.995 6.941 -8.332 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.983 8.657 -8.688 1.00 0.00 H new ATOM 0 HG SER A 93 6.664 7.535 -9.827 1.00 0.00 H new ATOM 1385 N PHE A 94 6.461 6.000 -5.921 1.00 0.00 N ATOM 1386 CA PHE A 94 7.387 5.024 -5.360 1.00 0.00 C ATOM 1387 C PHE A 94 6.988 3.605 -5.755 1.00 0.00 C ATOM 1388 O PHE A 94 5.805 3.263 -5.770 1.00 0.00 O ATOM 1389 CB PHE A 94 7.431 5.148 -3.835 1.00 0.00 C ATOM 1390 CG PHE A 94 6.380 4.332 -3.138 1.00 0.00 C ATOM 1391 CD1 PHE A 94 5.132 4.870 -2.867 1.00 0.00 C ATOM 1392 CD2 PHE A 94 6.640 3.027 -2.752 1.00 0.00 C ATOM 1393 CE1 PHE A 94 4.163 4.122 -2.226 1.00 0.00 C ATOM 1394 CE2 PHE A 94 5.675 2.274 -2.110 1.00 0.00 C ATOM 1395 CZ PHE A 94 4.435 2.823 -1.846 1.00 0.00 C ATOM 0 H PHE A 94 5.531 5.632 -6.120 1.00 0.00 H new ATOM 0 HA PHE A 94 8.379 5.229 -5.763 1.00 0.00 H new ATOM 0 HB2 PHE A 94 8.414 4.838 -3.481 1.00 0.00 H new ATOM 0 HB3 PHE A 94 7.309 6.196 -3.560 1.00 0.00 H new ATOM 0 HD1 PHE A 94 4.914 5.886 -3.160 1.00 0.00 H new ATOM 0 HD2 PHE A 94 7.608 2.593 -2.955 1.00 0.00 H new ATOM 0 HE1 PHE A 94 3.194 4.553 -2.023 1.00 0.00 H new ATOM 0 HE2 PHE A 94 5.890 1.258 -1.815 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.680 2.237 -1.343 1.00 0.00 H new ATOM 1405 N SER A 95 7.983 2.784 -6.075 1.00 0.00 N ATOM 1406 CA SER A 95 7.736 1.403 -6.474 1.00 0.00 C ATOM 1407 C SER A 95 8.206 0.433 -5.395 1.00 0.00 C ATOM 1408 O SER A 95 9.187 0.691 -4.696 1.00 0.00 O ATOM 1409 CB SER A 95 8.447 1.098 -7.794 1.00 0.00 C ATOM 1410 OG SER A 95 9.853 1.073 -7.623 1.00 0.00 O ATOM 0 H SER A 95 8.967 3.051 -6.066 1.00 0.00 H new ATOM 0 HA SER A 95 6.662 1.276 -6.609 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.107 0.137 -8.180 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.181 1.851 -8.536 1.00 0.00 H new ATOM 0 HG SER A 95 10.283 0.874 -8.481 1.00 0.00 H new ATOM 1416 N LEU A 96 7.498 -0.683 -5.264 1.00 0.00 N ATOM 1417 CA LEU A 96 7.841 -1.694 -4.269 1.00 0.00 C ATOM 1418 C LEU A 96 7.552 -3.096 -4.796 1.00 0.00 C ATOM 1419 O LEU A 96 6.806 -3.266 -5.759 1.00 0.00 O ATOM 1420 CB LEU A 96 7.059 -1.452 -2.977 1.00 0.00 C ATOM 1421 CG LEU A 96 5.595 -1.893 -2.986 1.00 0.00 C ATOM 1422 CD1 LEU A 96 5.491 -3.402 -2.831 1.00 0.00 C ATOM 1423 CD2 LEU A 96 4.819 -1.187 -1.883 1.00 0.00 C ATOM 0 H LEU A 96 6.683 -0.911 -5.834 1.00 0.00 H new ATOM 0 HA LEU A 96 8.908 -1.616 -4.061 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.569 -1.970 -2.165 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.095 -0.387 -2.748 1.00 0.00 H new ATOM 0 HG LEU A 96 5.158 -1.616 -3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.442 -3.697 -2.840 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.012 -3.889 -3.655 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.945 -3.703 -1.887 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.779 -1.513 -1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.257 -1.433 -0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.865 -0.109 -2.039 1.00 0.00 H new ATOM 1435 N GLU A 97 8.148 -4.098 -4.156 1.00 0.00 N ATOM 1436 CA GLU A 97 7.953 -5.485 -4.560 1.00 0.00 C ATOM 1437 C GLU A 97 7.346 -6.303 -3.424 1.00 0.00 C ATOM 1438 O GLU A 97 7.672 -6.099 -2.254 1.00 0.00 O ATOM 1439 CB GLU A 97 9.284 -6.105 -4.994 1.00 0.00 C ATOM 1440 CG GLU A 97 9.202 -7.599 -5.258 1.00 0.00 C ATOM 1441 CD GLU A 97 10.568 -8.243 -5.394 1.00 0.00 C ATOM 1442 OE1 GLU A 97 11.136 -8.654 -4.361 1.00 0.00 O ATOM 1443 OE2 GLU A 97 11.068 -8.336 -6.535 1.00 0.00 O ATOM 0 H GLU A 97 8.769 -3.975 -3.356 1.00 0.00 H new ATOM 0 HA GLU A 97 7.262 -5.497 -5.403 1.00 0.00 H new ATOM 0 HB2 GLU A 97 9.631 -5.603 -5.897 1.00 0.00 H new ATOM 0 HB3 GLU A 97 10.030 -5.922 -4.221 1.00 0.00 H new ATOM 0 HG2 GLU A 97 8.658 -8.079 -4.444 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.630 -7.772 -6.170 1.00 0.00 H new ATOM 1450 N LEU A 98 6.460 -7.227 -3.777 1.00 0.00 N ATOM 1451 CA LEU A 98 5.805 -8.076 -2.788 1.00 0.00 C ATOM 1452 C LEU A 98 5.799 -9.533 -3.240 1.00 0.00 C ATOM 1453 O LEU A 98 5.104 -9.898 -4.189 1.00 0.00 O ATOM 1454 CB LEU A 98 4.371 -7.599 -2.547 1.00 0.00 C ATOM 1455 CG LEU A 98 3.444 -8.591 -1.843 1.00 0.00 C ATOM 1456 CD1 LEU A 98 3.771 -8.668 -0.361 1.00 0.00 C ATOM 1457 CD2 LEU A 98 1.988 -8.198 -2.050 1.00 0.00 C ATOM 0 H LEU A 98 6.178 -7.408 -4.741 1.00 0.00 H new ATOM 0 HA LEU A 98 6.366 -8.006 -1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 98 4.408 -6.684 -1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.929 -7.339 -3.509 1.00 0.00 H new ATOM 0 HG LEU A 98 3.600 -9.577 -2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.101 -9.379 0.123 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.802 -8.996 -0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.644 -7.684 0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.342 -8.914 -1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.818 -7.202 -1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.760 -8.195 -3.116 1.00 0.00 H new ATOM 1469 N VAL A 99 6.576 -10.364 -2.552 1.00 0.00 N ATOM 1470 CA VAL A 99 6.658 -11.782 -2.880 1.00 0.00 C ATOM 1471 C VAL A 99 5.589 -12.579 -2.142 1.00 0.00 C ATOM 1472 O VAL A 99 5.314 -12.332 -0.968 1.00 0.00 O ATOM 1473 CB VAL A 99 8.044 -12.359 -2.533 1.00 0.00 C ATOM 1474 CG1 VAL A 99 8.107 -13.840 -2.876 1.00 0.00 C ATOM 1475 CG2 VAL A 99 9.138 -11.589 -3.257 1.00 0.00 C ATOM 0 H VAL A 99 7.158 -10.079 -1.764 1.00 0.00 H new ATOM 0 HA VAL A 99 6.495 -11.869 -3.954 1.00 0.00 H new ATOM 0 HB VAL A 99 8.205 -12.252 -1.460 1.00 0.00 H new ATOM 0 HG11 VAL A 99 9.093 -14.230 -2.624 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.348 -14.378 -2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.925 -13.975 -3.942 1.00 0.00 H new ATOM 0 HG21 VAL A 99 10.110 -12.010 -3.000 1.00 0.00 H new ATOM 0 HG22 VAL A 99 8.983 -11.663 -4.333 1.00 0.00 H new ATOM 0 HG23 VAL A 99 9.105 -10.542 -2.957 1.00 0.00 H new ATOM 1485 N VAL A 100 4.987 -13.538 -2.839 1.00 0.00 N ATOM 1486 CA VAL A 100 3.948 -14.374 -2.250 1.00 0.00 C ATOM 1487 C VAL A 100 4.163 -15.844 -2.595 1.00 0.00 C ATOM 1488 O VAL A 100 4.260 -16.209 -3.766 1.00 0.00 O ATOM 1489 CB VAL A 100 2.547 -13.947 -2.726 1.00 0.00 C ATOM 1490 CG1 VAL A 100 1.483 -14.872 -2.156 1.00 0.00 C ATOM 1491 CG2 VAL A 100 2.271 -12.502 -2.339 1.00 0.00 C ATOM 0 H VAL A 100 5.201 -13.755 -3.812 1.00 0.00 H new ATOM 0 HA VAL A 100 4.012 -14.244 -1.170 1.00 0.00 H new ATOM 0 HB VAL A 100 2.514 -14.022 -3.813 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.500 -14.554 -2.504 1.00 0.00 H new ATOM 0 HG12 VAL A 100 1.673 -15.893 -2.488 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.513 -14.833 -1.067 1.00 0.00 H new ATOM 0 HG21 VAL A 100 1.277 -12.217 -2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.323 -12.399 -1.255 1.00 0.00 H new ATOM 0 HG23 VAL A 100 3.015 -11.853 -2.801 1.00 0.00 H new ATOM 1501 N ALA A 101 4.237 -16.682 -1.567 1.00 0.00 N ATOM 1502 CA ALA A 101 4.438 -18.113 -1.760 1.00 0.00 C ATOM 1503 C ALA A 101 3.109 -18.861 -1.750 1.00 0.00 C ATOM 1504 O ALA A 101 2.360 -18.799 -0.776 1.00 0.00 O ATOM 1505 CB ALA A 101 5.366 -18.665 -0.688 1.00 0.00 C ATOM 0 H ALA A 101 4.161 -16.395 -0.591 1.00 0.00 H new ATOM 0 HA ALA A 101 4.900 -18.261 -2.736 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.507 -19.734 -0.844 1.00 0.00 H new ATOM 0 HB2 ALA A 101 6.330 -18.159 -0.746 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.927 -18.497 0.295 1.00 0.00 H new ATOM 1511 N ALA A 102 2.824 -19.566 -2.839 1.00 0.00 N ATOM 1512 CA ALA A 102 1.586 -20.326 -2.954 1.00 0.00 C ATOM 1513 C ALA A 102 1.369 -21.210 -1.731 1.00 0.00 C ATOM 1514 O ALA A 102 2.325 -21.671 -1.107 1.00 0.00 O ATOM 1515 CB ALA A 102 1.600 -21.170 -4.221 1.00 0.00 C ATOM 0 H ALA A 102 3.434 -19.627 -3.654 1.00 0.00 H new ATOM 0 HA ALA A 102 0.759 -19.619 -3.010 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.669 -21.732 -4.294 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.700 -20.520 -5.090 1.00 0.00 H new ATOM 0 HB3 ALA A 102 2.441 -21.863 -4.187 1.00 0.00 H new ATOM 1521 N LYS A 103 0.105 -21.442 -1.391 1.00 0.00 N ATOM 1522 CA LYS A 103 -0.238 -22.271 -0.242 1.00 0.00 C ATOM 1523 C LYS A 103 0.578 -23.560 -0.237 1.00 0.00 C ATOM 1524 O LYS A 103 0.991 -24.047 -1.288 1.00 0.00 O ATOM 1525 CB LYS A 103 -1.733 -22.602 -0.254 1.00 0.00 C ATOM 1526 CG LYS A 103 -2.264 -23.065 1.091 1.00 0.00 C ATOM 1527 CD LYS A 103 -2.518 -21.893 2.024 1.00 0.00 C ATOM 1528 CE LYS A 103 -3.285 -22.323 3.265 1.00 0.00 C ATOM 1529 NZ LYS A 103 -3.495 -21.191 4.208 1.00 0.00 N ATOM 0 H LYS A 103 -0.699 -21.067 -1.895 1.00 0.00 H new ATOM 0 HA LYS A 103 -0.003 -21.709 0.662 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -2.289 -21.720 -0.571 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -1.919 -23.379 -0.996 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -3.189 -23.622 0.945 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -1.549 -23.748 1.550 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -1.567 -21.449 2.319 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -3.080 -21.122 1.497 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -4.251 -22.734 2.971 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -2.740 -23.120 3.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -4.021 -21.526 5.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -2.573 -20.815 4.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -4.037 -20.441 3.734 1.00 0.00 H new ATOM 1543 N GLU A 104 0.805 -24.106 0.954 1.00 0.00 N ATOM 1544 CA GLU A 104 1.572 -25.339 1.094 1.00 0.00 C ATOM 1545 C GLU A 104 1.235 -26.319 -0.026 1.00 0.00 C ATOM 1546 O GLU A 104 0.078 -26.449 -0.425 1.00 0.00 O ATOM 1547 CB GLU A 104 1.296 -25.985 2.453 1.00 0.00 C ATOM 1548 CG GLU A 104 1.799 -25.167 3.630 1.00 0.00 C ATOM 1549 CD GLU A 104 3.233 -25.495 3.998 1.00 0.00 C ATOM 1550 OE1 GLU A 104 4.066 -25.631 3.078 1.00 0.00 O ATOM 1551 OE2 GLU A 104 3.522 -25.616 5.207 1.00 0.00 O ATOM 0 H GLU A 104 0.469 -23.715 1.834 1.00 0.00 H new ATOM 0 HA GLU A 104 2.631 -25.089 1.027 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.222 -26.139 2.561 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.764 -26.969 2.479 1.00 0.00 H new ATOM 0 HG2 GLU A 104 1.723 -24.107 3.390 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.157 -25.345 4.492 1.00 0.00 H new ATOM 1558 N SER A 105 2.255 -27.007 -0.529 1.00 0.00 N ATOM 1559 CA SER A 105 2.069 -27.972 -1.606 1.00 0.00 C ATOM 1560 C SER A 105 1.452 -29.263 -1.078 1.00 0.00 C ATOM 1561 O SER A 105 1.339 -29.461 0.131 1.00 0.00 O ATOM 1562 CB SER A 105 3.406 -28.273 -2.286 1.00 0.00 C ATOM 1563 OG SER A 105 4.217 -29.103 -1.472 1.00 0.00 O ATOM 0 H SER A 105 3.219 -26.914 -0.208 1.00 0.00 H new ATOM 0 HA SER A 105 1.388 -27.537 -2.337 1.00 0.00 H new ATOM 0 HB2 SER A 105 3.228 -28.760 -3.245 1.00 0.00 H new ATOM 0 HB3 SER A 105 3.929 -27.340 -2.495 1.00 0.00 H new ATOM 0 HG SER A 105 5.065 -29.282 -1.930 1.00 0.00 H new ATOM 1569 N GLY A 106 1.054 -30.140 -1.994 1.00 0.00 N ATOM 1570 CA GLY A 106 0.453 -31.402 -1.602 1.00 0.00 C ATOM 1571 C GLY A 106 -1.035 -31.279 -1.343 1.00 0.00 C ATOM 1572 O GLY A 106 -1.629 -30.213 -1.504 1.00 0.00 O ATOM 0 H GLY A 106 1.137 -29.999 -3.001 1.00 0.00 H new ATOM 0 HA2 GLY A 106 0.623 -32.141 -2.385 1.00 0.00 H new ATOM 0 HA3 GLY A 106 0.946 -31.772 -0.703 1.00 0.00 H new ATOM 1576 N PRO A 107 -1.662 -32.392 -0.933 1.00 0.00 N ATOM 1577 CA PRO A 107 -3.099 -32.430 -0.643 1.00 0.00 C ATOM 1578 C PRO A 107 -3.458 -31.647 0.615 1.00 0.00 C ATOM 1579 O PRO A 107 -2.769 -31.737 1.631 1.00 0.00 O ATOM 1580 CB PRO A 107 -3.381 -33.921 -0.444 1.00 0.00 C ATOM 1581 CG PRO A 107 -2.076 -34.499 -0.015 1.00 0.00 C ATOM 1582 CD PRO A 107 -1.017 -33.698 -0.720 1.00 0.00 C ATOM 0 HA PRO A 107 -3.688 -31.973 -1.439 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -4.152 -34.081 0.310 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -3.735 -34.383 -1.365 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -1.958 -34.436 1.067 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -2.010 -35.554 -0.282 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -0.114 -33.606 -0.116 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -0.725 -34.160 -1.663 1.00 0.00 H new ATOM 1590 N SER A 108 -4.539 -30.878 0.539 1.00 0.00 N ATOM 1591 CA SER A 108 -4.988 -30.076 1.672 1.00 0.00 C ATOM 1592 C SER A 108 -4.967 -30.894 2.959 1.00 0.00 C ATOM 1593 O SER A 108 -5.023 -32.124 2.927 1.00 0.00 O ATOM 1594 CB SER A 108 -6.398 -29.540 1.417 1.00 0.00 C ATOM 1595 OG SER A 108 -7.305 -30.596 1.155 1.00 0.00 O ATOM 0 H SER A 108 -5.120 -30.793 -0.295 1.00 0.00 H new ATOM 0 HA SER A 108 -4.303 -29.236 1.785 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.737 -28.972 2.283 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.382 -28.852 0.572 1.00 0.00 H new ATOM 0 HG SER A 108 -8.199 -30.228 0.997 1.00 0.00 H new ATOM 1601 N SER A 109 -4.885 -30.203 4.091 1.00 0.00 N ATOM 1602 CA SER A 109 -4.853 -30.864 5.390 1.00 0.00 C ATOM 1603 C SER A 109 -6.210 -31.476 5.722 1.00 0.00 C ATOM 1604 O SER A 109 -7.202 -30.766 5.880 1.00 0.00 O ATOM 1605 CB SER A 109 -4.448 -29.871 6.482 1.00 0.00 C ATOM 1606 OG SER A 109 -3.046 -29.665 6.489 1.00 0.00 O ATOM 0 H SER A 109 -4.839 -29.185 4.135 1.00 0.00 H new ATOM 0 HA SER A 109 -4.114 -31.664 5.344 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.958 -28.921 6.321 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.769 -30.244 7.455 1.00 0.00 H new ATOM 0 HG SER A 109 -2.813 -29.026 7.194 1.00 0.00 H new ATOM 1612 N GLY A 110 -6.245 -32.802 5.827 1.00 0.00 N ATOM 1613 CA GLY A 110 -7.485 -33.489 6.139 1.00 0.00 C ATOM 1614 C GLY A 110 -7.533 -33.975 7.574 1.00 0.00 C ATOM 1615 O GLY A 110 -6.922 -34.988 7.914 1.00 0.00 O ATOM 0 H GLY A 110 -5.437 -33.412 5.702 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -8.324 -32.818 5.958 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -7.605 -34.338 5.467 1.00 0.00 H new TER 1619 GLY A 110