USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 916 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 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 48 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 20 LYS NZ :NH3+ 145:sc= -0.196 (180deg=-1.1) USER MOD Set 2.2: A 83 ASN : amide:sc= 0 X(o=-0.2,f=-0.21) USER MOD Set 3.1: A 16 HIS : no HD1:sc= -2.54 X(o=-9.6,f=-9.3) USER MOD Set 3.2: A 27 HIS : no HE2:sc= -7.08! C(o=-9.6!,f=-11!) USER MOD Single : A 1 GLY N :NH3+ 141:sc= 0.0238 (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 44:sc= 0.905 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 140:sc= -0.125 USER MOD Single : A 17 TYR OH : rot 114:sc= 1.34 USER MOD Single : A 18 SER OG : rot 0:sc= -0.694 USER MOD Single : A 19 ASN : amide:sc= -3.89! C(o=-3.9!,f=-1.4!) USER MOD Single : A 22 THR OG1 : rot 34:sc= 0.431 USER MOD Single : A 28 TYR OH : rot 180:sc=-0.00256 USER MOD Single : A 33 CYS SG : rot 180:sc=0.000335 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 167:sc= 1.01 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.03 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -4.89! C(o=-4.9!,f=-5.5!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0207 X(o=-0.021,f=-0.1) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 8:sc= 0.594 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -2.31 K(o=-2.3,f=-8.6!) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -171:sc= -0.979 USER MOD Single : A 73 ASN : amide:sc= -0.0224 X(o=-0.022,f=-0.33) USER MOD Single : A 75 HIS : no HD1:sc= -3.88! C(o=-3.9!,f=-6.6!) USER MOD Single : A 76 CYS SG : rot 104:sc= -3.99! USER MOD Single : A 81 THR OG1 : rot -46:sc= 0.89 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -153:sc= -0.342 (180deg=-1.21) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 11:sc= 0.283! USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.511 19.046 12.039 1.00 0.00 N ATOM 2 CA GLY A 1 8.950 19.013 12.226 1.00 0.00 C ATOM 3 C GLY A 1 9.702 18.892 10.915 1.00 0.00 C ATOM 4 O GLY A 1 9.218 18.272 9.968 1.00 0.00 O ATOM 0 H1 GLY A 1 7.050 18.498 12.793 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.179 20.031 12.075 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.271 18.633 11.115 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.267 19.920 12.741 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.211 18.173 12.870 1.00 0.00 H new ATOM 8 N SER A 2 10.889 19.487 10.859 1.00 0.00 N ATOM 9 CA SER A 2 11.707 19.448 9.653 1.00 0.00 C ATOM 10 C SER A 2 12.513 18.154 9.584 1.00 0.00 C ATOM 11 O SER A 2 13.694 18.163 9.238 1.00 0.00 O ATOM 12 CB SER A 2 12.651 20.652 9.612 1.00 0.00 C ATOM 13 OG SER A 2 13.544 20.637 10.711 1.00 0.00 O ATOM 0 H SER A 2 11.306 20.002 11.635 1.00 0.00 H new ATOM 0 HA SER A 2 11.041 19.487 8.791 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.216 20.643 8.680 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.070 21.574 9.624 1.00 0.00 H new ATOM 0 HG SER A 2 14.137 21.415 10.661 1.00 0.00 H new ATOM 19 N SER A 3 11.865 17.043 9.918 1.00 0.00 N ATOM 20 CA SER A 3 12.520 15.740 9.899 1.00 0.00 C ATOM 21 C SER A 3 11.618 14.688 9.262 1.00 0.00 C ATOM 22 O SER A 3 10.394 14.797 9.301 1.00 0.00 O ATOM 23 CB SER A 3 12.897 15.314 11.319 1.00 0.00 C ATOM 24 OG SER A 3 11.752 14.912 12.051 1.00 0.00 O ATOM 0 H SER A 3 10.887 17.019 10.205 1.00 0.00 H new ATOM 0 HA SER A 3 13.427 15.826 9.301 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.613 14.493 11.278 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.389 16.141 11.832 1.00 0.00 H new ATOM 0 HG SER A 3 12.019 14.643 12.955 1.00 0.00 H new ATOM 30 N GLY A 4 12.235 13.667 8.674 1.00 0.00 N ATOM 31 CA GLY A 4 11.474 12.608 8.037 1.00 0.00 C ATOM 32 C GLY A 4 10.636 13.113 6.879 1.00 0.00 C ATOM 33 O GLY A 4 9.429 12.879 6.829 1.00 0.00 O ATOM 0 H GLY A 4 13.248 13.555 8.628 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.158 11.839 7.678 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.824 12.138 8.775 1.00 0.00 H new ATOM 37 N SER A 5 11.278 13.809 5.946 1.00 0.00 N ATOM 38 CA SER A 5 10.583 14.354 4.785 1.00 0.00 C ATOM 39 C SER A 5 11.270 13.929 3.491 1.00 0.00 C ATOM 40 O SER A 5 12.006 14.706 2.882 1.00 0.00 O ATOM 41 CB SER A 5 10.526 15.881 4.868 1.00 0.00 C ATOM 42 OG SER A 5 11.825 16.443 4.822 1.00 0.00 O ATOM 0 H SER A 5 12.278 14.009 5.971 1.00 0.00 H new ATOM 0 HA SER A 5 9.567 13.959 4.783 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.928 16.271 4.044 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.030 16.180 5.791 1.00 0.00 H new ATOM 0 HG SER A 5 12.353 15.991 4.131 1.00 0.00 H new ATOM 48 N SER A 6 11.025 12.690 3.078 1.00 0.00 N ATOM 49 CA SER A 6 11.623 12.159 1.858 1.00 0.00 C ATOM 50 C SER A 6 10.551 11.615 0.919 1.00 0.00 C ATOM 51 O SER A 6 10.299 10.412 0.876 1.00 0.00 O ATOM 52 CB SER A 6 12.628 11.056 2.196 1.00 0.00 C ATOM 53 OG SER A 6 13.710 11.566 2.956 1.00 0.00 O ATOM 0 H SER A 6 10.417 12.035 3.570 1.00 0.00 H new ATOM 0 HA SER A 6 12.143 12.973 1.354 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.129 10.264 2.754 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.005 10.609 1.276 1.00 0.00 H new ATOM 0 HG SER A 6 14.337 10.841 3.160 1.00 0.00 H new ATOM 59 N GLY A 7 9.921 12.513 0.168 1.00 0.00 N ATOM 60 CA GLY A 7 8.882 12.106 -0.761 1.00 0.00 C ATOM 61 C GLY A 7 7.949 11.069 -0.168 1.00 0.00 C ATOM 62 O GLY A 7 7.458 11.230 0.949 1.00 0.00 O ATOM 0 H GLY A 7 10.111 13.515 0.186 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.305 12.980 -1.062 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.343 11.703 -1.663 1.00 0.00 H new ATOM 66 N THR A 8 7.702 10.000 -0.919 1.00 0.00 N ATOM 67 CA THR A 8 6.819 8.933 -0.464 1.00 0.00 C ATOM 68 C THR A 8 7.065 8.606 1.005 1.00 0.00 C ATOM 69 O THR A 8 8.168 8.216 1.389 1.00 0.00 O ATOM 70 CB THR A 8 7.006 7.654 -1.301 1.00 0.00 C ATOM 71 OG1 THR A 8 6.766 7.935 -2.684 1.00 0.00 O ATOM 72 CG2 THR A 8 6.063 6.557 -0.830 1.00 0.00 C ATOM 0 H THR A 8 8.101 9.850 -1.846 1.00 0.00 H new ATOM 0 HA THR A 8 5.798 9.293 -0.588 1.00 0.00 H new ATOM 0 HB THR A 8 8.032 7.309 -1.173 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.421 7.456 -3.234 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.213 5.663 -1.436 1.00 0.00 H new ATOM 0 HG22 THR A 8 6.268 6.325 0.215 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.032 6.895 -0.932 1.00 0.00 H new ATOM 80 N LEU A 9 6.030 8.767 1.823 1.00 0.00 N ATOM 81 CA LEU A 9 6.133 8.488 3.251 1.00 0.00 C ATOM 82 C LEU A 9 6.191 6.985 3.509 1.00 0.00 C ATOM 83 O LEU A 9 6.942 6.522 4.368 1.00 0.00 O ATOM 84 CB LEU A 9 4.947 9.100 3.997 1.00 0.00 C ATOM 85 CG LEU A 9 4.582 10.535 3.616 1.00 0.00 C ATOM 86 CD1 LEU A 9 3.263 10.938 4.257 1.00 0.00 C ATOM 87 CD2 LEU A 9 5.691 11.493 4.024 1.00 0.00 C ATOM 0 H LEU A 9 5.110 9.089 1.522 1.00 0.00 H new ATOM 0 HA LEU A 9 7.056 8.937 3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.074 8.468 3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.162 9.073 5.065 1.00 0.00 H new ATOM 0 HG LEU A 9 4.466 10.586 2.533 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.019 11.962 3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.473 10.270 3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.350 10.871 5.341 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.414 12.510 3.745 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.839 11.440 5.103 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.615 11.217 3.517 1.00 0.00 H new ATOM 99 N ARG A 10 5.395 6.230 2.759 1.00 0.00 N ATOM 100 CA ARG A 10 5.357 4.780 2.907 1.00 0.00 C ATOM 101 C ARG A 10 5.325 4.096 1.543 1.00 0.00 C ATOM 102 O ARG A 10 4.914 4.693 0.549 1.00 0.00 O ATOM 103 CB ARG A 10 4.136 4.362 3.728 1.00 0.00 C ATOM 104 CG ARG A 10 4.109 2.881 4.068 1.00 0.00 C ATOM 105 CD ARG A 10 3.449 2.630 5.415 1.00 0.00 C ATOM 106 NE ARG A 10 4.423 2.583 6.502 1.00 0.00 N ATOM 107 CZ ARG A 10 4.705 3.621 7.282 1.00 0.00 C ATOM 108 NH1 ARG A 10 4.089 4.780 7.097 1.00 0.00 N ATOM 109 NH2 ARG A 10 5.604 3.499 8.250 1.00 0.00 N ATOM 0 H ARG A 10 4.768 6.598 2.043 1.00 0.00 H new ATOM 0 HA ARG A 10 6.261 4.469 3.430 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.116 4.939 4.653 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.232 4.616 3.174 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.571 2.338 3.291 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.127 2.491 4.082 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.721 3.417 5.614 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.900 1.689 5.380 1.00 0.00 H new ATOM 0 HE ARG A 10 4.914 1.705 6.672 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.397 4.877 6.354 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.307 5.575 7.697 1.00 0.00 H new ATOM 0 HH21 ARG A 10 6.079 2.608 8.396 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.820 4.296 8.849 1.00 0.00 H new ATOM 123 N GLU A 11 5.762 2.841 1.506 1.00 0.00 N ATOM 124 CA GLU A 11 5.784 2.077 0.264 1.00 0.00 C ATOM 125 C GLU A 11 5.877 0.580 0.548 1.00 0.00 C ATOM 126 O GLU A 11 6.709 0.138 1.338 1.00 0.00 O ATOM 127 CB GLU A 11 6.961 2.516 -0.609 1.00 0.00 C ATOM 128 CG GLU A 11 8.151 3.026 0.185 1.00 0.00 C ATOM 129 CD GLU A 11 9.366 3.284 -0.685 1.00 0.00 C ATOM 130 OE1 GLU A 11 9.184 3.567 -1.888 1.00 0.00 O ATOM 131 OE2 GLU A 11 10.498 3.203 -0.164 1.00 0.00 O ATOM 0 H GLU A 11 6.105 2.332 2.321 1.00 0.00 H new ATOM 0 HA GLU A 11 4.853 2.271 -0.269 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.279 1.675 -1.225 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.626 3.299 -1.289 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.873 3.947 0.697 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.408 2.298 0.955 1.00 0.00 H new ATOM 138 N GLY A 12 5.014 -0.194 -0.104 1.00 0.00 N ATOM 139 CA GLY A 12 5.015 -1.632 0.092 1.00 0.00 C ATOM 140 C GLY A 12 3.824 -2.306 -0.562 1.00 0.00 C ATOM 141 O GLY A 12 2.810 -1.664 -0.831 1.00 0.00 O ATOM 0 H GLY A 12 4.315 0.149 -0.763 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.935 -2.051 -0.316 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.011 -1.850 1.160 1.00 0.00 H new ATOM 145 N TRP A 13 3.948 -3.603 -0.818 1.00 0.00 N ATOM 146 CA TRP A 13 2.874 -4.365 -1.445 1.00 0.00 C ATOM 147 C TRP A 13 1.653 -4.435 -0.535 1.00 0.00 C ATOM 148 O TRP A 13 1.720 -4.977 0.568 1.00 0.00 O ATOM 149 CB TRP A 13 3.354 -5.776 -1.787 1.00 0.00 C ATOM 150 CG TRP A 13 4.425 -5.803 -2.834 1.00 0.00 C ATOM 151 CD1 TRP A 13 5.765 -5.976 -2.631 1.00 0.00 C ATOM 152 CD2 TRP A 13 4.248 -5.650 -4.246 1.00 0.00 C ATOM 153 NE1 TRP A 13 6.431 -5.939 -3.833 1.00 0.00 N ATOM 154 CE2 TRP A 13 5.522 -5.741 -4.839 1.00 0.00 C ATOM 155 CE3 TRP A 13 3.136 -5.447 -5.068 1.00 0.00 C ATOM 156 CZ2 TRP A 13 5.713 -5.635 -6.214 1.00 0.00 C ATOM 157 CZ3 TRP A 13 3.326 -5.341 -6.433 1.00 0.00 C ATOM 158 CH2 TRP A 13 4.606 -5.436 -6.995 1.00 0.00 C ATOM 0 H TRP A 13 4.782 -4.149 -0.601 1.00 0.00 H new ATOM 0 HA TRP A 13 2.589 -3.854 -2.365 1.00 0.00 H new ATOM 0 HB2 TRP A 13 3.729 -6.253 -0.882 1.00 0.00 H new ATOM 0 HB3 TRP A 13 2.505 -6.367 -2.131 1.00 0.00 H new ATOM 0 HD1 TRP A 13 6.232 -6.121 -1.668 1.00 0.00 H new ATOM 0 HE1 TRP A 13 7.438 -6.042 -3.956 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.145 -5.374 -4.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.699 -5.707 -6.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.474 -5.182 -7.077 1.00 0.00 H new ATOM 0 HH2 TRP A 13 4.722 -5.351 -8.065 1.00 0.00 H new ATOM 169 N VAL A 14 0.538 -3.885 -1.004 1.00 0.00 N ATOM 170 CA VAL A 14 -0.699 -3.887 -0.232 1.00 0.00 C ATOM 171 C VAL A 14 -1.902 -4.179 -1.122 1.00 0.00 C ATOM 172 O VAL A 14 -1.914 -3.829 -2.303 1.00 0.00 O ATOM 173 CB VAL A 14 -0.918 -2.540 0.481 1.00 0.00 C ATOM 174 CG1 VAL A 14 -2.188 -2.578 1.317 1.00 0.00 C ATOM 175 CG2 VAL A 14 0.287 -2.192 1.343 1.00 0.00 C ATOM 0 H VAL A 14 0.466 -3.432 -1.915 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.604 -4.674 0.516 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.033 -1.763 -0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.326 -1.617 1.813 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.043 -2.779 0.671 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.107 -3.365 2.067 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.115 -1.237 1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.435 -2.969 2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.175 -2.120 0.715 1.00 0.00 H new ATOM 185 N VAL A 15 -2.914 -4.822 -0.548 1.00 0.00 N ATOM 186 CA VAL A 15 -4.123 -5.161 -1.289 1.00 0.00 C ATOM 187 C VAL A 15 -5.345 -4.474 -0.689 1.00 0.00 C ATOM 188 O VAL A 15 -5.410 -4.243 0.519 1.00 0.00 O ATOM 189 CB VAL A 15 -4.361 -6.682 -1.310 1.00 0.00 C ATOM 190 CG1 VAL A 15 -4.685 -7.192 0.086 1.00 0.00 C ATOM 191 CG2 VAL A 15 -5.474 -7.033 -2.287 1.00 0.00 C ATOM 0 H VAL A 15 -2.920 -5.119 0.428 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.977 -4.810 -2.311 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.446 -7.171 -1.645 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.850 -8.269 0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.853 -6.974 0.755 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.585 -6.699 0.454 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.629 -8.112 -2.289 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.395 -6.535 -1.984 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.196 -6.704 -3.288 1.00 0.00 H new ATOM 201 N HIS A 16 -6.314 -4.152 -1.540 1.00 0.00 N ATOM 202 CA HIS A 16 -7.536 -3.493 -1.093 1.00 0.00 C ATOM 203 C HIS A 16 -8.716 -3.879 -1.979 1.00 0.00 C ATOM 204 O HIS A 16 -8.541 -4.502 -3.027 1.00 0.00 O ATOM 205 CB HIS A 16 -7.353 -1.975 -1.100 1.00 0.00 C ATOM 206 CG HIS A 16 -7.393 -1.372 -2.471 1.00 0.00 C ATOM 207 ND1 HIS A 16 -6.760 -1.935 -3.559 1.00 0.00 N ATOM 208 CD2 HIS A 16 -7.998 -0.251 -2.927 1.00 0.00 C ATOM 209 CE1 HIS A 16 -6.971 -1.184 -4.625 1.00 0.00 C ATOM 210 NE2 HIS A 16 -7.720 -0.156 -4.269 1.00 0.00 N ATOM 0 H HIS A 16 -6.277 -4.337 -2.542 1.00 0.00 H new ATOM 0 HA HIS A 16 -7.746 -3.822 -0.075 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.133 -1.521 -0.490 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -6.399 -1.730 -0.632 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.589 0.440 -2.345 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -6.595 -1.378 -5.619 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -8.040 0.588 -4.890 1.00 0.00 H new ATOM 219 N TYR A 17 -9.917 -3.506 -1.552 1.00 0.00 N ATOM 220 CA TYR A 17 -11.127 -3.816 -2.305 1.00 0.00 C ATOM 221 C TYR A 17 -12.336 -3.096 -1.714 1.00 0.00 C ATOM 222 O TYR A 17 -12.408 -2.869 -0.506 1.00 0.00 O ATOM 223 CB TYR A 17 -11.373 -5.325 -2.315 1.00 0.00 C ATOM 224 CG TYR A 17 -11.733 -5.890 -0.960 1.00 0.00 C ATOM 225 CD1 TYR A 17 -10.746 -6.316 -0.079 1.00 0.00 C ATOM 226 CD2 TYR A 17 -13.058 -5.998 -0.559 1.00 0.00 C ATOM 227 CE1 TYR A 17 -11.069 -6.834 1.160 1.00 0.00 C ATOM 228 CE2 TYR A 17 -13.391 -6.512 0.679 1.00 0.00 C ATOM 229 CZ TYR A 17 -12.393 -6.929 1.535 1.00 0.00 C ATOM 230 OH TYR A 17 -12.720 -7.443 2.769 1.00 0.00 O ATOM 0 H TYR A 17 -10.079 -2.988 -0.688 1.00 0.00 H new ATOM 0 HA TYR A 17 -10.986 -3.470 -3.329 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -12.176 -5.549 -3.017 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -10.479 -5.828 -2.683 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -9.708 -6.241 -0.368 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -13.842 -5.674 -1.227 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -10.289 -7.163 1.831 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -14.427 -6.587 0.975 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.129 -6.741 3.318 1.00 0.00 H new ATOM 240 N SER A 18 -13.283 -2.740 -2.576 1.00 0.00 N ATOM 241 CA SER A 18 -14.488 -2.043 -2.142 1.00 0.00 C ATOM 242 C SER A 18 -15.638 -3.024 -1.933 1.00 0.00 C ATOM 243 O SER A 18 -15.516 -4.212 -2.229 1.00 0.00 O ATOM 244 CB SER A 18 -14.888 -0.982 -3.169 1.00 0.00 C ATOM 245 OG SER A 18 -14.157 0.216 -2.976 1.00 0.00 O ATOM 0 H SER A 18 -13.239 -2.923 -3.579 1.00 0.00 H new ATOM 0 HA SER A 18 -14.272 -1.555 -1.192 1.00 0.00 H new ATOM 0 HB2 SER A 18 -14.712 -1.361 -4.176 1.00 0.00 H new ATOM 0 HB3 SER A 18 -15.956 -0.777 -3.088 1.00 0.00 H new ATOM 0 HG SER A 18 -13.546 0.108 -2.218 1.00 0.00 H new ATOM 251 N ASN A 19 -16.754 -2.517 -1.421 1.00 0.00 N ATOM 252 CA ASN A 19 -17.927 -3.348 -1.172 1.00 0.00 C ATOM 253 C ASN A 19 -18.903 -3.276 -2.342 1.00 0.00 C ATOM 254 O ASN A 19 -20.119 -3.248 -2.151 1.00 0.00 O ATOM 255 CB ASN A 19 -18.625 -2.907 0.117 1.00 0.00 C ATOM 256 CG ASN A 19 -19.635 -1.801 -0.122 1.00 0.00 C ATOM 257 OD1 ASN A 19 -20.836 -1.991 0.068 1.00 0.00 O ATOM 258 ND2 ASN A 19 -19.150 -0.638 -0.541 1.00 0.00 N ATOM 0 H ASN A 19 -16.871 -1.535 -1.170 1.00 0.00 H new ATOM 0 HA ASN A 19 -17.594 -4.380 -1.063 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -19.128 -3.764 0.566 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -17.878 -2.565 0.833 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -19.781 0.143 -0.719 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -18.146 -0.526 -0.685 1.00 0.00 H new ATOM 265 N LYS A 20 -18.362 -3.248 -3.555 1.00 0.00 N ATOM 266 CA LYS A 20 -19.183 -3.182 -4.758 1.00 0.00 C ATOM 267 C LYS A 20 -18.741 -4.227 -5.777 1.00 0.00 C ATOM 268 O LYS A 20 -19.569 -4.842 -6.449 1.00 0.00 O ATOM 269 CB LYS A 20 -19.105 -1.785 -5.378 1.00 0.00 C ATOM 270 CG LYS A 20 -20.005 -0.767 -4.699 1.00 0.00 C ATOM 271 CD LYS A 20 -20.463 0.308 -5.670 1.00 0.00 C ATOM 272 CE LYS A 20 -19.329 1.256 -6.028 1.00 0.00 C ATOM 273 NZ LYS A 20 -18.479 0.715 -7.124 1.00 0.00 N ATOM 0 H LYS A 20 -17.358 -3.270 -3.731 1.00 0.00 H new ATOM 0 HA LYS A 20 -20.215 -3.390 -4.475 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -18.074 -1.434 -5.333 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -19.374 -1.849 -6.432 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -20.874 -1.272 -4.278 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -19.471 -0.305 -3.868 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -20.848 -0.159 -6.576 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -21.285 0.872 -5.229 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -19.742 2.218 -6.330 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -18.714 1.436 -5.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.149 1.497 -7.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -17.659 0.222 -6.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -19.034 0.048 -7.697 1.00 0.00 H new ATOM 287 N ASP A 21 -17.431 -4.423 -5.886 1.00 0.00 N ATOM 288 CA ASP A 21 -16.879 -5.396 -6.821 1.00 0.00 C ATOM 289 C ASP A 21 -15.972 -6.389 -6.101 1.00 0.00 C ATOM 290 O ASP A 21 -15.751 -7.503 -6.576 1.00 0.00 O ATOM 291 CB ASP A 21 -16.099 -4.685 -7.929 1.00 0.00 C ATOM 292 CG ASP A 21 -15.568 -5.648 -8.973 1.00 0.00 C ATOM 293 OD1 ASP A 21 -14.840 -6.590 -8.596 1.00 0.00 O ATOM 294 OD2 ASP A 21 -15.882 -5.460 -10.166 1.00 0.00 O ATOM 0 H ASP A 21 -16.732 -3.921 -5.338 1.00 0.00 H new ATOM 0 HA ASP A 21 -17.708 -5.946 -7.266 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -16.745 -3.951 -8.411 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.267 -4.136 -7.489 1.00 0.00 H new ATOM 299 N THR A 22 -15.448 -5.977 -4.951 1.00 0.00 N ATOM 300 CA THR A 22 -14.563 -6.828 -4.165 1.00 0.00 C ATOM 301 C THR A 22 -13.458 -7.421 -5.032 1.00 0.00 C ATOM 302 O THR A 22 -13.229 -8.631 -5.022 1.00 0.00 O ATOM 303 CB THR A 22 -15.340 -7.974 -3.489 1.00 0.00 C ATOM 304 OG1 THR A 22 -16.191 -8.618 -4.444 1.00 0.00 O ATOM 305 CG2 THR A 22 -16.174 -7.451 -2.330 1.00 0.00 C ATOM 0 H THR A 22 -15.621 -5.058 -4.543 1.00 0.00 H new ATOM 0 HA THR A 22 -14.118 -6.197 -3.396 1.00 0.00 H new ATOM 0 HB THR A 22 -14.619 -8.694 -3.101 1.00 0.00 H new ATOM 0 HG1 THR A 22 -15.763 -8.605 -5.325 1.00 0.00 H new ATOM 0 HG21 THR A 22 -16.714 -8.278 -1.868 1.00 0.00 H new ATOM 0 HG22 THR A 22 -15.520 -6.987 -1.592 1.00 0.00 H new ATOM 0 HG23 THR A 22 -16.887 -6.713 -2.698 1.00 0.00 H new ATOM 313 N LEU A 23 -12.775 -6.562 -5.781 1.00 0.00 N ATOM 314 CA LEU A 23 -11.692 -7.001 -6.654 1.00 0.00 C ATOM 315 C LEU A 23 -10.341 -6.856 -5.961 1.00 0.00 C ATOM 316 O LEU A 23 -9.474 -6.111 -6.418 1.00 0.00 O ATOM 317 CB LEU A 23 -11.700 -6.194 -7.954 1.00 0.00 C ATOM 318 CG LEU A 23 -12.387 -4.830 -7.893 1.00 0.00 C ATOM 319 CD1 LEU A 23 -11.742 -3.954 -6.830 1.00 0.00 C ATOM 320 CD2 LEU A 23 -12.337 -4.146 -9.252 1.00 0.00 C ATOM 0 H LEU A 23 -12.952 -5.558 -5.801 1.00 0.00 H new ATOM 0 HA LEU A 23 -11.849 -8.054 -6.886 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -10.668 -6.045 -8.272 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.188 -6.790 -8.725 1.00 0.00 H new ATOM 0 HG LEU A 23 -13.432 -4.983 -7.623 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -12.244 -2.987 -6.801 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.830 -4.438 -5.857 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.688 -3.808 -7.069 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -12.831 -3.176 -9.190 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.298 -4.006 -9.551 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -12.846 -4.766 -9.990 1.00 0.00 H new ATOM 332 N ARG A 24 -10.169 -7.575 -4.856 1.00 0.00 N ATOM 333 CA ARG A 24 -8.923 -7.528 -4.100 1.00 0.00 C ATOM 334 C ARG A 24 -7.718 -7.603 -5.033 1.00 0.00 C ATOM 335 O ARG A 24 -7.399 -8.665 -5.569 1.00 0.00 O ATOM 336 CB ARG A 24 -8.872 -8.675 -3.089 1.00 0.00 C ATOM 337 CG ARG A 24 -10.065 -8.712 -2.149 1.00 0.00 C ATOM 338 CD ARG A 24 -9.686 -9.275 -0.789 1.00 0.00 C ATOM 339 NE ARG A 24 -9.377 -10.701 -0.853 1.00 0.00 N ATOM 340 CZ ARG A 24 -10.287 -11.640 -1.089 1.00 0.00 C ATOM 341 NH1 ARG A 24 -11.555 -11.305 -1.282 1.00 0.00 N ATOM 342 NH2 ARG A 24 -9.929 -12.917 -1.132 1.00 0.00 N ATOM 0 H ARG A 24 -10.877 -8.197 -4.465 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.887 -6.579 -3.565 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.815 -9.621 -3.628 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.959 -8.589 -2.500 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.466 -7.706 -2.028 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.856 -9.320 -2.588 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.823 -8.734 -0.401 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.505 -9.113 -0.089 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.410 -10.992 -0.709 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.834 -10.324 -1.250 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.252 -12.028 -1.463 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.954 -13.179 -0.984 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.628 -13.637 -1.313 1.00 0.00 H new ATOM 356 N LYS A 25 -7.052 -6.469 -5.223 1.00 0.00 N ATOM 357 CA LYS A 25 -5.882 -6.405 -6.090 1.00 0.00 C ATOM 358 C LYS A 25 -4.661 -5.910 -5.321 1.00 0.00 C ATOM 359 O LYS A 25 -4.702 -4.856 -4.686 1.00 0.00 O ATOM 360 CB LYS A 25 -6.154 -5.485 -7.283 1.00 0.00 C ATOM 361 CG LYS A 25 -6.675 -4.115 -6.887 1.00 0.00 C ATOM 362 CD LYS A 25 -7.497 -3.487 -8.000 1.00 0.00 C ATOM 363 CE LYS A 25 -8.590 -2.587 -7.447 1.00 0.00 C ATOM 364 NZ LYS A 25 -8.952 -1.502 -8.401 1.00 0.00 N ATOM 0 H LYS A 25 -7.303 -5.581 -4.788 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.677 -7.411 -6.455 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.234 -5.363 -7.855 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.878 -5.963 -7.942 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.285 -4.203 -5.988 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.837 -3.463 -6.641 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.844 -2.908 -8.654 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.945 -4.272 -8.610 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.474 -3.184 -7.224 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.257 -2.147 -6.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.700 -0.911 -7.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.115 -0.916 -8.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.294 -1.921 -9.289 1.00 0.00 H new ATOM 378 N ARG A 26 -3.577 -6.676 -5.384 1.00 0.00 N ATOM 379 CA ARG A 26 -2.345 -6.314 -4.693 1.00 0.00 C ATOM 380 C ARG A 26 -1.422 -5.516 -5.610 1.00 0.00 C ATOM 381 O ARG A 26 -1.304 -5.811 -6.799 1.00 0.00 O ATOM 382 CB ARG A 26 -1.626 -7.570 -4.196 1.00 0.00 C ATOM 383 CG ARG A 26 -0.200 -7.313 -3.737 1.00 0.00 C ATOM 384 CD ARG A 26 0.629 -8.588 -3.755 1.00 0.00 C ATOM 385 NE ARG A 26 2.045 -8.317 -3.986 1.00 0.00 N ATOM 386 CZ ARG A 26 2.876 -9.184 -4.556 1.00 0.00 C ATOM 387 NH1 ARG A 26 2.434 -10.370 -4.950 1.00 0.00 N ATOM 388 NH2 ARG A 26 4.151 -8.864 -4.732 1.00 0.00 N ATOM 0 H ARG A 26 -3.527 -7.551 -5.906 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.607 -5.691 -3.838 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.193 -8.000 -3.370 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.614 -8.312 -4.995 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.263 -6.568 -4.384 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -0.210 -6.898 -2.729 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.510 -9.111 -2.806 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.255 -9.252 -4.534 1.00 0.00 H new ATOM 0 HE ARG A 26 2.417 -7.413 -3.694 1.00 0.00 H new ATOM 0 HH11 ARG A 26 1.454 -10.619 -4.816 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.074 -11.033 -5.387 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.494 -7.952 -4.430 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.788 -9.530 -5.169 1.00 0.00 H new ATOM 402 N HIS A 27 -0.770 -4.503 -5.048 1.00 0.00 N ATOM 403 CA HIS A 27 0.142 -3.661 -5.815 1.00 0.00 C ATOM 404 C HIS A 27 0.965 -2.769 -4.890 1.00 0.00 C ATOM 405 O HIS A 27 0.607 -2.563 -3.730 1.00 0.00 O ATOM 406 CB HIS A 27 -0.638 -2.803 -6.811 1.00 0.00 C ATOM 407 CG HIS A 27 -2.032 -2.485 -6.365 1.00 0.00 C ATOM 408 ND1 HIS A 27 -3.017 -2.051 -7.226 1.00 0.00 N ATOM 409 CD2 HIS A 27 -2.604 -2.542 -5.139 1.00 0.00 C ATOM 410 CE1 HIS A 27 -4.134 -1.853 -6.550 1.00 0.00 C ATOM 411 NE2 HIS A 27 -3.911 -2.144 -5.281 1.00 0.00 N ATOM 0 H HIS A 27 -0.856 -4.245 -4.065 1.00 0.00 H new ATOM 0 HA HIS A 27 0.823 -4.311 -6.364 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -0.097 -1.871 -6.977 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -0.681 -3.322 -7.769 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -2.901 -1.905 -8.229 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.122 -2.844 -4.221 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.071 -1.511 -6.964 1.00 0.00 H new ATOM 420 N TYR A 28 2.067 -2.243 -5.411 1.00 0.00 N ATOM 421 CA TYR A 28 2.942 -1.375 -4.631 1.00 0.00 C ATOM 422 C TYR A 28 2.221 -0.092 -4.231 1.00 0.00 C ATOM 423 O TYR A 28 2.093 0.837 -5.028 1.00 0.00 O ATOM 424 CB TYR A 28 4.202 -1.037 -5.429 1.00 0.00 C ATOM 425 CG TYR A 28 5.421 -0.799 -4.566 1.00 0.00 C ATOM 426 CD1 TYR A 28 5.931 -1.809 -3.759 1.00 0.00 C ATOM 427 CD2 TYR A 28 6.060 0.434 -4.556 1.00 0.00 C ATOM 428 CE1 TYR A 28 7.044 -1.597 -2.968 1.00 0.00 C ATOM 429 CE2 TYR A 28 7.174 0.655 -3.769 1.00 0.00 C ATOM 430 CZ TYR A 28 7.662 -0.364 -2.976 1.00 0.00 C ATOM 431 OH TYR A 28 8.770 -0.147 -2.190 1.00 0.00 O ATOM 0 H TYR A 28 2.376 -2.402 -6.370 1.00 0.00 H new ATOM 0 HA TYR A 28 3.226 -1.909 -3.724 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.412 -1.851 -6.122 1.00 0.00 H new ATOM 0 HB3 TYR A 28 4.013 -0.147 -6.030 1.00 0.00 H new ATOM 0 HD1 TYR A 28 5.449 -2.776 -3.750 1.00 0.00 H new ATOM 0 HD2 TYR A 28 5.680 1.234 -5.174 1.00 0.00 H new ATOM 0 HE1 TYR A 28 7.428 -2.393 -2.347 1.00 0.00 H new ATOM 0 HE2 TYR A 28 7.660 1.619 -3.774 1.00 0.00 H new ATOM 0 HH TYR A 28 9.084 0.773 -2.314 1.00 0.00 H new ATOM 441 N TRP A 29 1.751 -0.049 -2.989 1.00 0.00 N ATOM 442 CA TRP A 29 1.042 1.120 -2.481 1.00 0.00 C ATOM 443 C TRP A 29 2.023 2.199 -2.032 1.00 0.00 C ATOM 444 O TRP A 29 2.936 1.934 -1.250 1.00 0.00 O ATOM 445 CB TRP A 29 0.133 0.725 -1.316 1.00 0.00 C ATOM 446 CG TRP A 29 -1.274 0.425 -1.737 1.00 0.00 C ATOM 447 CD1 TRP A 29 -1.668 -0.390 -2.759 1.00 0.00 C ATOM 448 CD2 TRP A 29 -2.473 0.940 -1.146 1.00 0.00 C ATOM 449 NE1 TRP A 29 -3.040 -0.413 -2.840 1.00 0.00 N ATOM 450 CE2 TRP A 29 -3.557 0.394 -1.861 1.00 0.00 C ATOM 451 CE3 TRP A 29 -2.736 1.806 -0.082 1.00 0.00 C ATOM 452 CZ2 TRP A 29 -4.881 0.688 -1.546 1.00 0.00 C ATOM 453 CZ3 TRP A 29 -4.050 2.098 0.229 1.00 0.00 C ATOM 454 CH2 TRP A 29 -5.109 1.540 -0.499 1.00 0.00 C ATOM 0 H TRP A 29 1.848 -0.809 -2.316 1.00 0.00 H new ATOM 0 HA TRP A 29 0.431 1.523 -3.289 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.551 -0.151 -0.819 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.121 1.532 -0.583 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -1.000 -0.936 -3.408 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -3.585 -0.945 -3.519 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.927 2.239 0.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -5.698 0.260 -2.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.265 2.768 1.048 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.125 1.787 -0.229 1.00 0.00 H new ATOM 465 N ARG A 30 1.828 3.415 -2.532 1.00 0.00 N ATOM 466 CA ARG A 30 2.696 4.532 -2.183 1.00 0.00 C ATOM 467 C ARG A 30 1.898 5.659 -1.533 1.00 0.00 C ATOM 468 O ARG A 30 0.917 6.145 -2.097 1.00 0.00 O ATOM 469 CB ARG A 30 3.415 5.056 -3.428 1.00 0.00 C ATOM 470 CG ARG A 30 4.733 4.353 -3.710 1.00 0.00 C ATOM 471 CD ARG A 30 5.654 5.217 -4.557 1.00 0.00 C ATOM 472 NE ARG A 30 6.974 4.613 -4.720 1.00 0.00 N ATOM 473 CZ ARG A 30 7.969 5.190 -5.384 1.00 0.00 C ATOM 474 NH1 ARG A 30 7.796 6.380 -5.943 1.00 0.00 N ATOM 475 NH2 ARG A 30 9.142 4.578 -5.488 1.00 0.00 N ATOM 0 H ARG A 30 1.076 3.651 -3.180 1.00 0.00 H new ATOM 0 HA ARG A 30 3.436 4.174 -1.467 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.760 4.941 -4.291 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.600 6.123 -3.308 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.225 4.109 -2.769 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.542 3.411 -4.224 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.204 5.374 -5.537 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.759 6.198 -4.093 1.00 0.00 H new ATOM 0 HE ARG A 30 7.141 3.698 -4.301 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.897 6.855 -5.864 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.562 6.820 -6.452 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.280 3.664 -5.058 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.905 5.022 -5.998 1.00 0.00 H new ATOM 489 N LEU A 31 2.323 6.067 -0.343 1.00 0.00 N ATOM 490 CA LEU A 31 1.648 7.136 0.386 1.00 0.00 C ATOM 491 C LEU A 31 2.496 8.404 0.403 1.00 0.00 C ATOM 492 O LEU A 31 3.725 8.339 0.450 1.00 0.00 O ATOM 493 CB LEU A 31 1.345 6.692 1.818 1.00 0.00 C ATOM 494 CG LEU A 31 1.117 7.811 2.834 1.00 0.00 C ATOM 495 CD1 LEU A 31 -0.230 8.478 2.601 1.00 0.00 C ATOM 496 CD2 LEU A 31 1.208 7.270 4.253 1.00 0.00 C ATOM 0 H LEU A 31 3.132 5.674 0.138 1.00 0.00 H new ATOM 0 HA LEU A 31 0.711 7.355 -0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.458 6.058 1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.172 6.074 2.168 1.00 0.00 H new ATOM 0 HG LEU A 31 1.898 8.560 2.701 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.375 9.272 3.334 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.257 8.901 1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.025 7.739 2.705 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.043 8.081 4.963 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.450 6.501 4.398 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.196 6.841 4.416 1.00 0.00 H new ATOM 508 N ASP A 32 1.833 9.554 0.367 1.00 0.00 N ATOM 509 CA ASP A 32 2.526 10.837 0.382 1.00 0.00 C ATOM 510 C ASP A 32 1.820 11.825 1.306 1.00 0.00 C ATOM 511 O ASP A 32 0.862 11.471 1.994 1.00 0.00 O ATOM 512 CB ASP A 32 2.609 11.413 -1.032 1.00 0.00 C ATOM 513 CG ASP A 32 3.579 10.648 -1.912 1.00 0.00 C ATOM 514 OD1 ASP A 32 4.779 10.994 -1.912 1.00 0.00 O ATOM 515 OD2 ASP A 32 3.138 9.705 -2.601 1.00 0.00 O ATOM 0 H ASP A 32 0.816 9.624 0.327 1.00 0.00 H new ATOM 0 HA ASP A 32 3.536 10.672 0.758 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.619 11.396 -1.487 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.917 12.457 -0.979 1.00 0.00 H new ATOM 520 N CYS A 33 2.300 13.063 1.317 1.00 0.00 N ATOM 521 CA CYS A 33 1.716 14.102 2.158 1.00 0.00 C ATOM 522 C CYS A 33 0.536 14.768 1.458 1.00 0.00 C ATOM 523 O CYS A 33 0.010 15.778 1.928 1.00 0.00 O ATOM 524 CB CYS A 33 2.771 15.151 2.515 1.00 0.00 C ATOM 525 SG CYS A 33 3.355 16.121 1.105 1.00 0.00 S ATOM 0 H CYS A 33 3.092 13.372 0.753 1.00 0.00 H new ATOM 0 HA CYS A 33 1.355 13.634 3.074 1.00 0.00 H new ATOM 0 HB2 CYS A 33 2.356 15.828 3.261 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.623 14.651 2.976 1.00 0.00 H new ATOM 0 HG CYS A 33 4.242 16.982 1.508 1.00 0.00 H new ATOM 531 N LYS A 34 0.124 14.198 0.331 1.00 0.00 N ATOM 532 CA LYS A 34 -0.994 14.735 -0.435 1.00 0.00 C ATOM 533 C LYS A 34 -2.018 13.646 -0.741 1.00 0.00 C ATOM 534 O LYS A 34 -3.214 13.824 -0.511 1.00 0.00 O ATOM 535 CB LYS A 34 -0.493 15.359 -1.739 1.00 0.00 C ATOM 536 CG LYS A 34 0.535 16.458 -1.532 1.00 0.00 C ATOM 537 CD LYS A 34 0.685 17.323 -2.772 1.00 0.00 C ATOM 538 CE LYS A 34 1.458 16.600 -3.865 1.00 0.00 C ATOM 539 NZ LYS A 34 1.244 17.223 -5.200 1.00 0.00 N ATOM 0 H LYS A 34 0.548 13.363 -0.073 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.477 15.505 0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.057 14.578 -2.362 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.343 15.766 -2.287 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.239 17.080 -0.687 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.498 16.014 -1.279 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.301 17.601 -3.145 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.200 18.248 -2.512 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.521 16.611 -3.626 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.149 15.555 -3.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.787 16.702 -5.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.233 17.190 -5.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.562 18.213 -5.176 1.00 0.00 H new ATOM 553 N CYS A 35 -1.539 12.520 -1.258 1.00 0.00 N ATOM 554 CA CYS A 35 -2.413 11.402 -1.594 1.00 0.00 C ATOM 555 C CYS A 35 -1.653 10.080 -1.533 1.00 0.00 C ATOM 556 O CYS A 35 -0.448 10.057 -1.280 1.00 0.00 O ATOM 557 CB CYS A 35 -3.011 11.596 -2.989 1.00 0.00 C ATOM 558 SG CYS A 35 -1.785 11.653 -4.316 1.00 0.00 S ATOM 0 H CYS A 35 -0.551 12.357 -1.453 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.220 11.371 -0.862 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.710 10.784 -3.189 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.586 12.522 -3.000 1.00 0.00 H new ATOM 0 HG CYS A 35 -2.384 11.547 -5.465 1.00 0.00 H new ATOM 564 N ILE A 36 -2.366 8.983 -1.765 1.00 0.00 N ATOM 565 CA ILE A 36 -1.758 7.658 -1.735 1.00 0.00 C ATOM 566 C ILE A 36 -1.759 7.022 -3.121 1.00 0.00 C ATOM 567 O ILE A 36 -2.748 6.418 -3.539 1.00 0.00 O ATOM 568 CB ILE A 36 -2.491 6.725 -0.754 1.00 0.00 C ATOM 569 CG1 ILE A 36 -2.493 7.328 0.653 1.00 0.00 C ATOM 570 CG2 ILE A 36 -1.841 5.349 -0.746 1.00 0.00 C ATOM 571 CD1 ILE A 36 -3.576 6.768 1.548 1.00 0.00 C ATOM 0 H ILE A 36 -3.364 8.985 -1.976 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.730 7.790 -1.399 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.524 6.615 -1.083 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.522 7.152 1.117 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.618 8.408 0.577 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.370 4.701 -0.048 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.887 4.919 -1.747 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.799 5.440 -0.438 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.518 7.240 2.529 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.552 6.968 1.106 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.439 5.692 1.655 1.00 0.00 H new ATOM 583 N THR A 37 -0.644 7.161 -3.831 1.00 0.00 N ATOM 584 CA THR A 37 -0.515 6.599 -5.170 1.00 0.00 C ATOM 585 C THR A 37 -0.473 5.076 -5.125 1.00 0.00 C ATOM 586 O THR A 37 -0.090 4.484 -4.115 1.00 0.00 O ATOM 587 CB THR A 37 0.753 7.116 -5.876 1.00 0.00 C ATOM 588 OG1 THR A 37 1.825 7.235 -4.934 1.00 0.00 O ATOM 589 CG2 THR A 37 0.495 8.465 -6.531 1.00 0.00 C ATOM 0 H THR A 37 0.183 7.658 -3.501 1.00 0.00 H new ATOM 0 HA THR A 37 -1.392 6.919 -5.733 1.00 0.00 H new ATOM 0 HB THR A 37 1.029 6.400 -6.650 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.627 7.563 -5.391 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.404 8.810 -7.023 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.301 8.365 -7.268 1.00 0.00 H new ATOM 0 HG23 THR A 37 0.197 9.187 -5.771 1.00 0.00 H new ATOM 597 N LEU A 38 -0.867 4.446 -6.226 1.00 0.00 N ATOM 598 CA LEU A 38 -0.873 2.990 -6.314 1.00 0.00 C ATOM 599 C LEU A 38 -0.154 2.516 -7.573 1.00 0.00 C ATOM 600 O LEU A 38 -0.668 2.654 -8.683 1.00 0.00 O ATOM 601 CB LEU A 38 -2.310 2.465 -6.306 1.00 0.00 C ATOM 602 CG LEU A 38 -2.889 2.114 -4.935 1.00 0.00 C ATOM 603 CD1 LEU A 38 -3.137 3.375 -4.121 1.00 0.00 C ATOM 604 CD2 LEU A 38 -4.175 1.314 -5.087 1.00 0.00 C ATOM 0 H LEU A 38 -1.187 4.921 -7.070 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.343 2.597 -5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.952 3.215 -6.768 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.354 1.576 -6.935 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.163 1.499 -4.403 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.549 3.105 -3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.197 3.909 -3.981 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.843 4.016 -4.649 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.572 1.073 -4.101 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.907 1.903 -5.639 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.968 0.392 -5.630 1.00 0.00 H new ATOM 616 N PHE A 39 1.038 1.956 -7.392 1.00 0.00 N ATOM 617 CA PHE A 39 1.827 1.461 -8.513 1.00 0.00 C ATOM 618 C PHE A 39 1.572 -0.026 -8.744 1.00 0.00 C ATOM 619 O PHE A 39 2.006 -0.869 -7.959 1.00 0.00 O ATOM 620 CB PHE A 39 3.317 1.701 -8.261 1.00 0.00 C ATOM 621 CG PHE A 39 3.705 3.152 -8.295 1.00 0.00 C ATOM 622 CD1 PHE A 39 3.113 4.061 -7.433 1.00 0.00 C ATOM 623 CD2 PHE A 39 4.661 3.606 -9.189 1.00 0.00 C ATOM 624 CE1 PHE A 39 3.468 5.397 -7.461 1.00 0.00 C ATOM 625 CE2 PHE A 39 5.020 4.940 -9.222 1.00 0.00 C ATOM 626 CZ PHE A 39 4.422 5.837 -8.358 1.00 0.00 C ATOM 0 H PHE A 39 1.478 1.834 -6.480 1.00 0.00 H new ATOM 0 HA PHE A 39 1.524 2.007 -9.407 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.585 1.284 -7.290 1.00 0.00 H new ATOM 0 HB3 PHE A 39 3.896 1.161 -9.010 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.366 3.722 -6.731 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.131 2.910 -9.868 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.000 6.095 -6.783 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.768 5.281 -9.923 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.700 6.880 -8.384 1.00 0.00 H new ATOM 636 N GLN A 40 0.865 -0.338 -9.825 1.00 0.00 N ATOM 637 CA GLN A 40 0.551 -1.722 -10.159 1.00 0.00 C ATOM 638 C GLN A 40 1.656 -2.660 -9.685 1.00 0.00 C ATOM 639 O GLN A 40 1.423 -3.543 -8.860 1.00 0.00 O ATOM 640 CB GLN A 40 0.350 -1.872 -11.668 1.00 0.00 C ATOM 641 CG GLN A 40 -0.299 -3.188 -12.067 1.00 0.00 C ATOM 642 CD GLN A 40 -0.911 -3.140 -13.453 1.00 0.00 C ATOM 643 OE1 GLN A 40 -0.544 -2.302 -14.277 1.00 0.00 O ATOM 644 NE2 GLN A 40 -1.849 -4.041 -13.718 1.00 0.00 N ATOM 0 H GLN A 40 0.499 0.349 -10.484 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.373 -1.992 -9.648 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.267 -1.048 -12.028 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.316 -1.787 -12.165 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.447 -3.982 -12.031 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.072 -3.442 -11.341 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.123 -4.717 -13.005 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.296 -4.057 -14.635 1.00 0.00 H new ATOM 653 N ASN A 41 2.860 -2.463 -10.213 1.00 0.00 N ATOM 654 CA ASN A 41 4.001 -3.293 -9.845 1.00 0.00 C ATOM 655 C ASN A 41 5.091 -2.455 -9.183 1.00 0.00 C ATOM 656 O ASN A 41 4.909 -1.264 -8.937 1.00 0.00 O ATOM 657 CB ASN A 41 4.565 -3.999 -11.080 1.00 0.00 C ATOM 658 CG ASN A 41 3.474 -4.538 -11.985 1.00 0.00 C ATOM 659 OD1 ASN A 41 2.951 -5.630 -11.763 1.00 0.00 O ATOM 660 ND2 ASN A 41 3.127 -3.773 -13.014 1.00 0.00 N ATOM 0 H ASN A 41 3.070 -1.736 -10.897 1.00 0.00 H new ATOM 0 HA ASN A 41 3.658 -4.042 -9.131 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.188 -3.302 -11.641 1.00 0.00 H new ATOM 0 HB3 ASN A 41 5.210 -4.819 -10.764 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.400 -4.084 -13.658 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.587 -2.875 -13.160 1.00 0.00 H new ATOM 667 N ASN A 42 6.225 -3.088 -8.898 1.00 0.00 N ATOM 668 CA ASN A 42 7.345 -2.402 -8.264 1.00 0.00 C ATOM 669 C ASN A 42 8.216 -1.706 -9.306 1.00 0.00 C ATOM 670 O ASN A 42 8.717 -0.605 -9.077 1.00 0.00 O ATOM 671 CB ASN A 42 8.187 -3.392 -7.457 1.00 0.00 C ATOM 672 CG ASN A 42 8.880 -4.413 -8.338 1.00 0.00 C ATOM 673 OD1 ASN A 42 10.067 -4.286 -8.639 1.00 0.00 O ATOM 674 ND2 ASN A 42 8.140 -5.433 -8.757 1.00 0.00 N ATOM 0 H ASN A 42 6.392 -4.075 -9.096 1.00 0.00 H new ATOM 0 HA ASN A 42 6.942 -1.646 -7.590 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.934 -2.845 -6.882 1.00 0.00 H new ATOM 0 HB3 ASN A 42 7.548 -3.908 -6.740 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.552 -6.151 -9.353 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.160 -5.498 -8.483 1.00 0.00 H new ATOM 681 N THR A 43 8.393 -2.357 -10.451 1.00 0.00 N ATOM 682 CA THR A 43 9.204 -1.803 -11.528 1.00 0.00 C ATOM 683 C THR A 43 8.338 -1.078 -12.552 1.00 0.00 C ATOM 684 O THR A 43 8.590 -1.148 -13.755 1.00 0.00 O ATOM 685 CB THR A 43 10.015 -2.900 -12.243 1.00 0.00 C ATOM 686 OG1 THR A 43 9.135 -3.919 -12.733 1.00 0.00 O ATOM 687 CG2 THR A 43 11.038 -3.517 -11.302 1.00 0.00 C ATOM 0 H THR A 43 7.985 -3.269 -10.657 1.00 0.00 H new ATOM 0 HA THR A 43 9.893 -1.093 -11.071 1.00 0.00 H new ATOM 0 HB THR A 43 10.543 -2.443 -13.080 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.658 -4.612 -13.188 1.00 0.00 H new ATOM 0 HG21 THR A 43 11.598 -4.289 -11.829 1.00 0.00 H new ATOM 0 HG22 THR A 43 11.724 -2.745 -10.953 1.00 0.00 H new ATOM 0 HG23 THR A 43 10.526 -3.960 -10.448 1.00 0.00 H new ATOM 695 N THR A 44 7.314 -0.382 -12.067 1.00 0.00 N ATOM 696 CA THR A 44 6.409 0.355 -12.940 1.00 0.00 C ATOM 697 C THR A 44 6.633 1.858 -12.820 1.00 0.00 C ATOM 698 O THR A 44 6.683 2.401 -11.718 1.00 0.00 O ATOM 699 CB THR A 44 4.937 0.039 -12.619 1.00 0.00 C ATOM 700 OG1 THR A 44 4.079 0.688 -13.564 1.00 0.00 O ATOM 701 CG2 THR A 44 4.581 0.491 -11.210 1.00 0.00 C ATOM 0 H THR A 44 7.091 -0.314 -11.074 1.00 0.00 H new ATOM 0 HA THR A 44 6.626 0.038 -13.960 1.00 0.00 H new ATOM 0 HB THR A 44 4.798 -1.040 -12.684 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.145 0.481 -13.354 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.536 0.257 -11.006 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.216 -0.026 -10.491 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.736 1.566 -11.123 1.00 0.00 H new ATOM 709 N ASN A 45 6.766 2.525 -13.962 1.00 0.00 N ATOM 710 CA ASN A 45 6.984 3.967 -13.984 1.00 0.00 C ATOM 711 C ASN A 45 5.669 4.719 -13.801 1.00 0.00 C ATOM 712 O ASN A 45 5.477 5.422 -12.809 1.00 0.00 O ATOM 713 CB ASN A 45 7.644 4.384 -15.300 1.00 0.00 C ATOM 714 CG ASN A 45 8.775 3.456 -15.699 1.00 0.00 C ATOM 715 OD1 ASN A 45 8.574 2.497 -16.444 1.00 0.00 O ATOM 716 ND2 ASN A 45 9.974 3.739 -15.202 1.00 0.00 N ATOM 0 H ASN A 45 6.727 2.090 -14.884 1.00 0.00 H new ATOM 0 HA ASN A 45 7.646 4.222 -13.156 1.00 0.00 H new ATOM 0 HB2 ASN A 45 6.894 4.399 -16.091 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.028 5.400 -15.205 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.774 3.151 -15.434 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.094 4.545 -14.588 1.00 0.00 H new ATOM 723 N ARG A 46 4.766 4.564 -14.765 1.00 0.00 N ATOM 724 CA ARG A 46 3.469 5.228 -14.710 1.00 0.00 C ATOM 725 C ARG A 46 2.549 4.543 -13.704 1.00 0.00 C ATOM 726 O ARG A 46 2.287 3.344 -13.804 1.00 0.00 O ATOM 727 CB ARG A 46 2.817 5.233 -16.094 1.00 0.00 C ATOM 728 CG ARG A 46 3.581 6.048 -17.125 1.00 0.00 C ATOM 729 CD ARG A 46 3.449 7.541 -16.864 1.00 0.00 C ATOM 730 NE ARG A 46 4.279 8.330 -17.770 1.00 0.00 N ATOM 731 CZ ARG A 46 4.488 9.634 -17.627 1.00 0.00 C ATOM 732 NH1 ARG A 46 3.931 10.292 -16.620 1.00 0.00 N ATOM 733 NH2 ARG A 46 5.256 10.283 -18.493 1.00 0.00 N ATOM 0 H ARG A 46 4.909 3.985 -15.592 1.00 0.00 H new ATOM 0 HA ARG A 46 3.628 6.257 -14.387 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.729 4.206 -16.448 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.805 5.629 -16.008 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.634 5.766 -17.106 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.207 5.817 -18.123 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.406 7.838 -16.976 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.732 7.755 -15.833 1.00 0.00 H new ATOM 0 HE ARG A 46 4.722 7.854 -18.556 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.340 9.797 -15.952 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.094 11.293 -16.513 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.686 9.781 -19.269 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.416 11.284 -18.382 1.00 0.00 H new ATOM 747 N TYR A 47 2.062 5.312 -12.737 1.00 0.00 N ATOM 748 CA TYR A 47 1.173 4.779 -11.711 1.00 0.00 C ATOM 749 C TYR A 47 -0.073 4.162 -12.338 1.00 0.00 C ATOM 750 O TYR A 47 -0.335 4.336 -13.528 1.00 0.00 O ATOM 751 CB TYR A 47 0.773 5.882 -10.730 1.00 0.00 C ATOM 752 CG TYR A 47 -0.303 6.803 -11.261 1.00 0.00 C ATOM 753 CD1 TYR A 47 -0.158 7.437 -12.488 1.00 0.00 C ATOM 754 CD2 TYR A 47 -1.464 7.039 -10.535 1.00 0.00 C ATOM 755 CE1 TYR A 47 -1.138 8.280 -12.977 1.00 0.00 C ATOM 756 CE2 TYR A 47 -2.449 7.878 -11.016 1.00 0.00 C ATOM 757 CZ TYR A 47 -2.281 8.497 -12.238 1.00 0.00 C ATOM 758 OH TYR A 47 -3.260 9.335 -12.720 1.00 0.00 O ATOM 0 H TYR A 47 2.268 6.307 -12.642 1.00 0.00 H new ATOM 0 HA TYR A 47 1.709 3.999 -11.170 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.424 5.424 -9.804 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.655 6.472 -10.481 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.736 7.268 -13.070 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.598 6.558 -9.578 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -1.009 8.766 -13.933 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.346 8.049 -10.439 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.999 9.378 -12.078 1.00 0.00 H new ATOM 768 N TYR A 48 -0.840 3.441 -11.527 1.00 0.00 N ATOM 769 CA TYR A 48 -2.059 2.796 -12.000 1.00 0.00 C ATOM 770 C TYR A 48 -3.290 3.403 -11.334 1.00 0.00 C ATOM 771 O TYR A 48 -4.282 3.709 -11.995 1.00 0.00 O ATOM 772 CB TYR A 48 -2.005 1.293 -11.725 1.00 0.00 C ATOM 773 CG TYR A 48 -3.368 0.649 -11.609 1.00 0.00 C ATOM 774 CD1 TYR A 48 -4.099 0.731 -10.430 1.00 0.00 C ATOM 775 CD2 TYR A 48 -3.926 -0.040 -12.679 1.00 0.00 C ATOM 776 CE1 TYR A 48 -5.344 0.144 -10.319 1.00 0.00 C ATOM 777 CE2 TYR A 48 -5.172 -0.629 -12.577 1.00 0.00 C ATOM 778 CZ TYR A 48 -5.877 -0.535 -11.395 1.00 0.00 C ATOM 779 OH TYR A 48 -7.118 -1.120 -11.289 1.00 0.00 O ATOM 0 H TYR A 48 -0.639 3.289 -10.539 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.133 2.959 -13.075 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.449 0.805 -12.526 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.451 1.121 -10.802 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.686 1.263 -9.586 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.377 -0.116 -13.606 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.898 0.216 -9.394 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.592 -1.160 -13.418 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.347 -1.557 -12.136 1.00 0.00 H new ATOM 789 N LYS A 49 -3.218 3.575 -10.018 1.00 0.00 N ATOM 790 CA LYS A 49 -4.324 4.146 -9.259 1.00 0.00 C ATOM 791 C LYS A 49 -3.831 5.246 -8.324 1.00 0.00 C ATOM 792 O LYS A 49 -2.662 5.270 -7.942 1.00 0.00 O ATOM 793 CB LYS A 49 -5.033 3.056 -8.453 1.00 0.00 C ATOM 794 CG LYS A 49 -5.919 3.598 -7.344 1.00 0.00 C ATOM 795 CD LYS A 49 -7.181 4.236 -7.901 1.00 0.00 C ATOM 796 CE LYS A 49 -8.245 3.193 -8.206 1.00 0.00 C ATOM 797 NZ LYS A 49 -9.339 3.747 -9.051 1.00 0.00 N ATOM 0 H LYS A 49 -2.404 3.327 -9.455 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.030 4.583 -9.965 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.639 2.453 -9.129 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.285 2.393 -8.018 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -6.188 2.790 -6.664 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.365 4.334 -6.761 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.572 4.957 -7.184 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.940 4.788 -8.809 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.787 2.345 -8.715 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.663 2.816 -7.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -10.044 3.005 -9.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.793 4.540 -8.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.945 4.083 -9.953 1.00 0.00 H new ATOM 811 N GLU A 50 -4.732 6.153 -7.958 1.00 0.00 N ATOM 812 CA GLU A 50 -4.387 7.254 -7.066 1.00 0.00 C ATOM 813 C GLU A 50 -5.522 7.537 -6.087 1.00 0.00 C ATOM 814 O GLU A 50 -6.643 7.844 -6.493 1.00 0.00 O ATOM 815 CB GLU A 50 -4.070 8.514 -7.875 1.00 0.00 C ATOM 816 CG GLU A 50 -3.829 9.744 -7.016 1.00 0.00 C ATOM 817 CD GLU A 50 -3.042 10.817 -7.741 1.00 0.00 C ATOM 818 OE1 GLU A 50 -3.318 11.051 -8.937 1.00 0.00 O ATOM 819 OE2 GLU A 50 -2.149 11.425 -7.113 1.00 0.00 O ATOM 0 H GLU A 50 -5.705 6.147 -8.265 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.504 6.964 -6.497 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.187 8.330 -8.487 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.895 8.714 -8.558 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.788 10.154 -6.698 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.292 9.452 -6.113 1.00 0.00 H new ATOM 826 N ILE A 51 -5.223 7.431 -4.797 1.00 0.00 N ATOM 827 CA ILE A 51 -6.218 7.676 -3.760 1.00 0.00 C ATOM 828 C ILE A 51 -5.943 8.989 -3.034 1.00 0.00 C ATOM 829 O ILE A 51 -5.154 9.052 -2.091 1.00 0.00 O ATOM 830 CB ILE A 51 -6.252 6.531 -2.731 1.00 0.00 C ATOM 831 CG1 ILE A 51 -6.563 5.202 -3.423 1.00 0.00 C ATOM 832 CG2 ILE A 51 -7.279 6.823 -1.647 1.00 0.00 C ATOM 833 CD1 ILE A 51 -6.286 3.991 -2.560 1.00 0.00 C ATOM 0 H ILE A 51 -4.300 7.177 -4.445 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.186 7.735 -4.258 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.270 6.454 -2.263 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.612 5.194 -3.721 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.972 5.130 -4.336 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.291 6.004 -0.927 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.017 7.750 -1.138 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.266 6.924 -2.099 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.529 3.085 -3.115 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.232 3.975 -2.283 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.897 4.039 -1.659 1.00 0.00 H new ATOM 845 N PRO A 52 -6.611 10.063 -3.481 1.00 0.00 N ATOM 846 CA PRO A 52 -6.457 11.394 -2.887 1.00 0.00 C ATOM 847 C PRO A 52 -7.062 11.478 -1.489 1.00 0.00 C ATOM 848 O PRO A 52 -8.229 11.143 -1.286 1.00 0.00 O ATOM 849 CB PRO A 52 -7.218 12.304 -3.854 1.00 0.00 C ATOM 850 CG PRO A 52 -8.218 11.412 -4.506 1.00 0.00 C ATOM 851 CD PRO A 52 -7.567 10.060 -4.601 1.00 0.00 C ATOM 0 HA PRO A 52 -5.409 11.665 -2.760 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -7.704 13.124 -3.326 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.547 12.750 -4.588 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.137 11.363 -3.921 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.488 11.785 -5.494 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.296 9.255 -4.505 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.064 9.922 -5.558 1.00 0.00 H new ATOM 859 N LEU A 53 -6.261 11.928 -0.530 1.00 0.00 N ATOM 860 CA LEU A 53 -6.717 12.057 0.850 1.00 0.00 C ATOM 861 C LEU A 53 -8.043 12.807 0.917 1.00 0.00 C ATOM 862 O LEU A 53 -8.823 12.628 1.852 1.00 0.00 O ATOM 863 CB LEU A 53 -5.665 12.782 1.690 1.00 0.00 C ATOM 864 CG LEU A 53 -4.343 12.041 1.897 1.00 0.00 C ATOM 865 CD1 LEU A 53 -3.308 12.961 2.525 1.00 0.00 C ATOM 866 CD2 LEU A 53 -4.554 10.805 2.759 1.00 0.00 C ATOM 0 H LEU A 53 -5.293 12.210 -0.682 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.867 11.055 1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.451 13.741 1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.095 12.997 2.668 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.971 11.721 0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.374 12.416 2.665 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.136 13.815 1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.671 13.312 3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.603 10.290 2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.949 11.102 3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.261 10.136 2.269 1.00 0.00 H new ATOM 878 N SER A 54 -8.294 13.647 -0.083 1.00 0.00 N ATOM 879 CA SER A 54 -9.525 14.426 -0.137 1.00 0.00 C ATOM 880 C SER A 54 -10.737 13.515 -0.311 1.00 0.00 C ATOM 881 O SER A 54 -11.780 13.728 0.306 1.00 0.00 O ATOM 882 CB SER A 54 -9.464 15.437 -1.284 1.00 0.00 C ATOM 883 OG SER A 54 -10.457 16.437 -1.135 1.00 0.00 O ATOM 0 H SER A 54 -7.661 13.805 -0.867 1.00 0.00 H new ATOM 0 HA SER A 54 -9.628 14.963 0.806 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.478 15.901 -1.312 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.602 14.922 -2.235 1.00 0.00 H new ATOM 0 HG SER A 54 -10.396 17.072 -1.879 1.00 0.00 H new ATOM 889 N GLU A 55 -10.590 12.499 -1.156 1.00 0.00 N ATOM 890 CA GLU A 55 -11.672 11.556 -1.412 1.00 0.00 C ATOM 891 C GLU A 55 -12.042 10.795 -0.142 1.00 0.00 C ATOM 892 O GLU A 55 -13.221 10.607 0.160 1.00 0.00 O ATOM 893 CB GLU A 55 -11.271 10.571 -2.512 1.00 0.00 C ATOM 894 CG GLU A 55 -11.638 11.038 -3.911 1.00 0.00 C ATOM 895 CD GLU A 55 -11.465 12.534 -4.090 1.00 0.00 C ATOM 896 OE1 GLU A 55 -10.462 13.080 -3.585 1.00 0.00 O ATOM 897 OE2 GLU A 55 -12.332 13.158 -4.736 1.00 0.00 O ATOM 0 H GLU A 55 -9.733 12.308 -1.674 1.00 0.00 H new ATOM 0 HA GLU A 55 -12.543 12.122 -1.742 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.195 10.405 -2.464 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.751 9.611 -2.321 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.018 10.515 -4.639 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -12.673 10.768 -4.120 1.00 0.00 H new ATOM 904 N ILE A 56 -11.027 10.359 0.596 1.00 0.00 N ATOM 905 CA ILE A 56 -11.245 9.619 1.833 1.00 0.00 C ATOM 906 C ILE A 56 -12.175 10.379 2.772 1.00 0.00 C ATOM 907 O ILE A 56 -11.970 11.563 3.043 1.00 0.00 O ATOM 908 CB ILE A 56 -9.917 9.337 2.561 1.00 0.00 C ATOM 909 CG1 ILE A 56 -9.003 8.476 1.686 1.00 0.00 C ATOM 910 CG2 ILE A 56 -10.180 8.653 3.895 1.00 0.00 C ATOM 911 CD1 ILE A 56 -7.593 8.357 2.220 1.00 0.00 C ATOM 0 H ILE A 56 -10.046 10.505 0.359 1.00 0.00 H new ATOM 0 HA ILE A 56 -11.707 8.671 1.557 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.416 10.286 2.753 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.434 7.479 1.595 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -8.968 8.901 0.683 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -9.232 8.460 4.398 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -10.797 9.299 4.519 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -10.699 7.710 3.724 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -7.002 7.733 1.550 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.143 9.348 2.284 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -7.616 7.904 3.211 1.00 0.00 H new ATOM 923 N LEU A 57 -13.198 9.691 3.266 1.00 0.00 N ATOM 924 CA LEU A 57 -14.161 10.300 4.178 1.00 0.00 C ATOM 925 C LEU A 57 -13.812 9.985 5.629 1.00 0.00 C ATOM 926 O LEU A 57 -13.801 10.871 6.483 1.00 0.00 O ATOM 927 CB LEU A 57 -15.574 9.807 3.862 1.00 0.00 C ATOM 928 CG LEU A 57 -16.002 9.890 2.397 1.00 0.00 C ATOM 929 CD1 LEU A 57 -17.341 9.197 2.192 1.00 0.00 C ATOM 930 CD2 LEU A 57 -16.076 11.341 1.944 1.00 0.00 C ATOM 0 H LEU A 57 -13.383 8.711 3.051 1.00 0.00 H new ATOM 0 HA LEU A 57 -14.121 11.381 4.041 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -15.656 8.769 4.185 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -16.280 10.384 4.459 1.00 0.00 H new ATOM 0 HG LEU A 57 -15.254 9.379 1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -17.630 9.266 1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -17.255 8.148 2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -18.099 9.679 2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -16.382 11.381 0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -16.802 11.876 2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -15.097 11.807 2.053 1.00 0.00 H new ATOM 942 N THR A 58 -13.524 8.715 5.901 1.00 0.00 N ATOM 943 CA THR A 58 -13.173 8.283 7.247 1.00 0.00 C ATOM 944 C THR A 58 -12.353 6.998 7.216 1.00 0.00 C ATOM 945 O THR A 58 -12.404 6.240 6.247 1.00 0.00 O ATOM 946 CB THR A 58 -14.429 8.056 8.110 1.00 0.00 C ATOM 947 OG1 THR A 58 -15.042 9.311 8.422 1.00 0.00 O ATOM 948 CG2 THR A 58 -14.078 7.323 9.395 1.00 0.00 C ATOM 0 H THR A 58 -13.527 7.969 5.206 1.00 0.00 H new ATOM 0 HA THR A 58 -12.577 9.081 7.689 1.00 0.00 H new ATOM 0 HB THR A 58 -15.128 7.443 7.541 1.00 0.00 H new ATOM 0 HG1 THR A 58 -14.603 10.025 7.914 1.00 0.00 H new ATOM 0 HG21 THR A 58 -14.981 7.174 9.987 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.639 6.355 9.153 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.362 7.913 9.967 1.00 0.00 H new ATOM 956 N VAL A 59 -11.597 6.758 8.283 1.00 0.00 N ATOM 957 CA VAL A 59 -10.767 5.563 8.378 1.00 0.00 C ATOM 958 C VAL A 59 -11.105 4.758 9.628 1.00 0.00 C ATOM 959 O VAL A 59 -10.891 5.216 10.749 1.00 0.00 O ATOM 960 CB VAL A 59 -9.269 5.921 8.400 1.00 0.00 C ATOM 961 CG1 VAL A 59 -8.423 4.666 8.553 1.00 0.00 C ATOM 962 CG2 VAL A 59 -8.885 6.683 7.141 1.00 0.00 C ATOM 0 H VAL A 59 -11.542 7.375 9.093 1.00 0.00 H new ATOM 0 HA VAL A 59 -10.976 4.961 7.494 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.079 6.565 9.259 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.368 4.938 8.567 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.681 4.165 9.486 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.614 3.994 7.716 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -7.823 6.928 7.173 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.089 6.066 6.266 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.468 7.602 7.080 1.00 0.00 H new ATOM 972 N GLU A 60 -11.632 3.555 9.425 1.00 0.00 N ATOM 973 CA GLU A 60 -12.000 2.685 10.536 1.00 0.00 C ATOM 974 C GLU A 60 -11.203 1.385 10.496 1.00 0.00 C ATOM 975 O GLU A 60 -10.547 1.076 9.501 1.00 0.00 O ATOM 976 CB GLU A 60 -13.499 2.379 10.500 1.00 0.00 C ATOM 977 CG GLU A 60 -14.371 3.619 10.406 1.00 0.00 C ATOM 978 CD GLU A 60 -15.722 3.434 11.069 1.00 0.00 C ATOM 979 OE1 GLU A 60 -16.234 2.295 11.066 1.00 0.00 O ATOM 980 OE2 GLU A 60 -16.267 4.429 11.593 1.00 0.00 O ATOM 0 H GLU A 60 -11.814 3.161 8.502 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.766 3.206 11.464 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.709 1.732 9.648 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -13.769 1.822 11.397 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.854 4.458 10.871 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.518 3.877 9.357 1.00 0.00 H new ATOM 987 N SER A 61 -11.264 0.626 11.586 1.00 0.00 N ATOM 988 CA SER A 61 -10.545 -0.639 11.678 1.00 0.00 C ATOM 989 C SER A 61 -11.420 -1.797 11.205 1.00 0.00 C ATOM 990 O SER A 61 -12.635 -1.790 11.396 1.00 0.00 O ATOM 991 CB SER A 61 -10.088 -0.887 13.117 1.00 0.00 C ATOM 992 OG SER A 61 -9.309 0.196 13.598 1.00 0.00 O ATOM 0 H SER A 61 -11.804 0.865 12.417 1.00 0.00 H new ATOM 0 HA SER A 61 -9.670 -0.579 11.031 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.958 -1.027 13.759 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.506 -1.807 13.164 1.00 0.00 H new ATOM 0 HG SER A 61 -9.030 0.015 14.520 1.00 0.00 H new ATOM 998 N ALA A 62 -10.790 -2.790 10.585 1.00 0.00 N ATOM 999 CA ALA A 62 -11.509 -3.956 10.085 1.00 0.00 C ATOM 1000 C ALA A 62 -12.496 -4.478 11.124 1.00 0.00 C ATOM 1001 O ALA A 62 -12.098 -4.955 12.186 1.00 0.00 O ATOM 1002 CB ALA A 62 -10.529 -5.050 9.688 1.00 0.00 C ATOM 0 H ALA A 62 -9.784 -2.810 10.417 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.075 -3.654 9.204 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.079 -5.914 9.317 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.866 -4.679 8.906 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.938 -5.342 10.556 1.00 0.00 H new ATOM 1008 N GLN A 63 -13.784 -4.385 10.808 1.00 0.00 N ATOM 1009 CA GLN A 63 -14.828 -4.848 11.716 1.00 0.00 C ATOM 1010 C GLN A 63 -15.881 -5.657 10.966 1.00 0.00 C ATOM 1011 O GLN A 63 -16.487 -6.572 11.522 1.00 0.00 O ATOM 1012 CB GLN A 63 -15.485 -3.659 12.419 1.00 0.00 C ATOM 1013 CG GLN A 63 -15.549 -2.405 11.563 1.00 0.00 C ATOM 1014 CD GLN A 63 -16.802 -2.343 10.712 1.00 0.00 C ATOM 1015 OE1 GLN A 63 -17.573 -3.301 10.651 1.00 0.00 O ATOM 1016 NE2 GLN A 63 -17.012 -1.212 10.049 1.00 0.00 N ATOM 0 H GLN A 63 -14.129 -3.994 9.932 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.366 -5.493 12.464 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -16.496 -3.937 12.717 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -14.933 -3.437 13.332 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -15.508 -1.527 12.208 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.673 -2.366 10.916 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -16.347 -0.443 10.129 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -17.839 -1.112 9.460 1.00 0.00 H new ATOM 1025 N ASN A 64 -16.095 -5.311 9.701 1.00 0.00 N ATOM 1026 CA ASN A 64 -17.077 -6.005 8.875 1.00 0.00 C ATOM 1027 C ASN A 64 -16.394 -6.979 7.919 1.00 0.00 C ATOM 1028 O ASN A 64 -15.665 -6.569 7.016 1.00 0.00 O ATOM 1029 CB ASN A 64 -17.912 -4.997 8.083 1.00 0.00 C ATOM 1030 CG ASN A 64 -19.127 -5.633 7.436 1.00 0.00 C ATOM 1031 OD1 ASN A 64 -19.980 -6.202 8.117 1.00 0.00 O ATOM 1032 ND2 ASN A 64 -19.210 -5.540 6.114 1.00 0.00 N ATOM 0 H ASN A 64 -15.602 -4.555 9.226 1.00 0.00 H new ATOM 0 HA ASN A 64 -17.734 -6.572 9.535 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -18.235 -4.196 8.748 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -17.291 -4.541 7.312 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -20.005 -5.950 5.623 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -18.479 -5.059 5.590 1.00 0.00 H new ATOM 1039 N PHE A 65 -16.635 -8.269 8.125 1.00 0.00 N ATOM 1040 CA PHE A 65 -16.043 -9.302 7.283 1.00 0.00 C ATOM 1041 C PHE A 65 -17.123 -10.186 6.667 1.00 0.00 C ATOM 1042 O PHE A 65 -16.957 -11.401 6.555 1.00 0.00 O ATOM 1043 CB PHE A 65 -15.070 -10.157 8.096 1.00 0.00 C ATOM 1044 CG PHE A 65 -14.163 -9.354 8.984 1.00 0.00 C ATOM 1045 CD1 PHE A 65 -14.615 -8.864 10.198 1.00 0.00 C ATOM 1046 CD2 PHE A 65 -12.857 -9.088 8.603 1.00 0.00 C ATOM 1047 CE1 PHE A 65 -13.783 -8.124 11.016 1.00 0.00 C ATOM 1048 CE2 PHE A 65 -12.020 -8.349 9.417 1.00 0.00 C ATOM 1049 CZ PHE A 65 -12.483 -7.867 10.626 1.00 0.00 C ATOM 0 H PHE A 65 -17.236 -8.624 8.868 1.00 0.00 H new ATOM 0 HA PHE A 65 -15.497 -8.811 6.477 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -15.638 -10.857 8.709 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -14.463 -10.751 7.413 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -15.630 -9.063 10.509 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -12.489 -9.463 7.659 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -14.149 -7.747 11.960 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.005 -8.148 9.108 1.00 0.00 H new ATOM 0 HZ PHE A 65 -11.830 -7.291 11.265 1.00 0.00 H new ATOM 1059 N SER A 66 -18.231 -9.568 6.270 1.00 0.00 N ATOM 1060 CA SER A 66 -19.341 -10.299 5.669 1.00 0.00 C ATOM 1061 C SER A 66 -19.160 -10.415 4.159 1.00 0.00 C ATOM 1062 O SER A 66 -19.598 -11.388 3.543 1.00 0.00 O ATOM 1063 CB SER A 66 -20.667 -9.603 5.984 1.00 0.00 C ATOM 1064 OG SER A 66 -21.758 -10.494 5.832 1.00 0.00 O ATOM 0 H SER A 66 -18.384 -8.563 6.354 1.00 0.00 H new ATOM 0 HA SER A 66 -19.356 -11.303 6.094 1.00 0.00 H new ATOM 0 HB2 SER A 66 -20.646 -9.219 7.004 1.00 0.00 H new ATOM 0 HB3 SER A 66 -20.798 -8.746 5.323 1.00 0.00 H new ATOM 0 HG SER A 66 -22.594 -10.026 6.040 1.00 0.00 H new ATOM 1070 N LEU A 67 -18.513 -9.417 3.568 1.00 0.00 N ATOM 1071 CA LEU A 67 -18.274 -9.406 2.129 1.00 0.00 C ATOM 1072 C LEU A 67 -17.507 -10.650 1.695 1.00 0.00 C ATOM 1073 O LEU A 67 -18.031 -11.492 0.965 1.00 0.00 O ATOM 1074 CB LEU A 67 -17.497 -8.149 1.731 1.00 0.00 C ATOM 1075 CG LEU A 67 -18.146 -6.814 2.098 1.00 0.00 C ATOM 1076 CD1 LEU A 67 -17.186 -5.664 1.835 1.00 0.00 C ATOM 1077 CD2 LEU A 67 -19.440 -6.619 1.321 1.00 0.00 C ATOM 0 H LEU A 67 -18.144 -8.605 4.063 1.00 0.00 H new ATOM 0 HA LEU A 67 -19.240 -9.404 1.625 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -16.513 -8.192 2.197 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -17.340 -8.169 0.653 1.00 0.00 H new ATOM 0 HG LEU A 67 -18.383 -6.827 3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -17.665 -4.722 2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -16.286 -5.797 2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -16.918 -5.648 0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -19.888 -5.664 1.595 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -19.227 -6.627 0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -20.133 -7.426 1.559 1.00 0.00 H new ATOM 1089 N VAL A 68 -16.263 -10.762 2.150 1.00 0.00 N ATOM 1090 CA VAL A 68 -15.425 -11.906 1.812 1.00 0.00 C ATOM 1091 C VAL A 68 -15.930 -13.176 2.486 1.00 0.00 C ATOM 1092 O VAL A 68 -16.529 -13.142 3.561 1.00 0.00 O ATOM 1093 CB VAL A 68 -13.959 -11.668 2.222 1.00 0.00 C ATOM 1094 CG1 VAL A 68 -13.306 -10.646 1.304 1.00 0.00 C ATOM 1095 CG2 VAL A 68 -13.879 -11.221 3.674 1.00 0.00 C ATOM 0 H VAL A 68 -15.813 -10.074 2.754 1.00 0.00 H new ATOM 0 HA VAL A 68 -15.477 -12.028 0.730 1.00 0.00 H new ATOM 0 HB VAL A 68 -13.415 -12.608 2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -12.271 -10.491 1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -13.331 -11.011 0.277 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -13.848 -9.702 1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -12.837 -11.057 3.947 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -14.437 -10.293 3.800 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -14.306 -11.992 4.316 1.00 0.00 H new ATOM 1105 N PRO A 69 -15.683 -14.326 1.842 1.00 0.00 N ATOM 1106 CA PRO A 69 -16.104 -15.631 2.361 1.00 0.00 C ATOM 1107 C PRO A 69 -15.317 -16.043 3.600 1.00 0.00 C ATOM 1108 O PRO A 69 -14.325 -15.415 3.973 1.00 0.00 O ATOM 1109 CB PRO A 69 -15.813 -16.585 1.201 1.00 0.00 C ATOM 1110 CG PRO A 69 -14.729 -15.919 0.425 1.00 0.00 C ATOM 1111 CD PRO A 69 -14.974 -14.442 0.556 1.00 0.00 C ATOM 0 HA PRO A 69 -17.148 -15.627 2.676 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -15.497 -17.563 1.563 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -16.699 -16.743 0.587 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -13.748 -16.188 0.816 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -14.751 -16.227 -0.620 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -14.041 -13.879 0.559 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -15.574 -14.059 -0.270 1.00 0.00 H new ATOM 1119 N PRO A 70 -15.766 -17.123 4.256 1.00 0.00 N ATOM 1120 CA PRO A 70 -15.117 -17.643 5.463 1.00 0.00 C ATOM 1121 C PRO A 70 -13.758 -18.267 5.167 1.00 0.00 C ATOM 1122 O PRO A 70 -13.669 -19.300 4.504 1.00 0.00 O ATOM 1123 CB PRO A 70 -16.097 -18.708 5.962 1.00 0.00 C ATOM 1124 CG PRO A 70 -16.841 -19.139 4.744 1.00 0.00 C ATOM 1125 CD PRO A 70 -16.942 -17.920 3.869 1.00 0.00 C ATOM 0 HA PRO A 70 -14.916 -16.855 6.189 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -15.572 -19.545 6.422 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -16.772 -18.303 6.716 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -16.317 -19.945 4.231 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -17.830 -19.516 5.004 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -16.919 -18.182 2.811 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -17.871 -17.376 4.043 1.00 0.00 H new ATOM 1133 N GLY A 71 -12.700 -17.633 5.664 1.00 0.00 N ATOM 1134 CA GLY A 71 -11.359 -18.141 5.442 1.00 0.00 C ATOM 1135 C GLY A 71 -10.495 -17.174 4.657 1.00 0.00 C ATOM 1136 O GLY A 71 -9.270 -17.177 4.787 1.00 0.00 O ATOM 0 H GLY A 71 -12.748 -16.777 6.216 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.888 -18.346 6.403 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -11.417 -19.089 4.907 1.00 0.00 H new ATOM 1140 N THR A 72 -11.133 -16.344 3.838 1.00 0.00 N ATOM 1141 CA THR A 72 -10.414 -15.369 3.026 1.00 0.00 C ATOM 1142 C THR A 72 -9.773 -14.295 3.897 1.00 0.00 C ATOM 1143 O THR A 72 -10.462 -13.567 4.610 1.00 0.00 O ATOM 1144 CB THR A 72 -11.347 -14.694 2.003 1.00 0.00 C ATOM 1145 OG1 THR A 72 -11.605 -15.586 0.912 1.00 0.00 O ATOM 1146 CG2 THR A 72 -10.731 -13.407 1.477 1.00 0.00 C ATOM 0 H THR A 72 -12.146 -16.327 3.719 1.00 0.00 H new ATOM 0 HA THR A 72 -9.635 -15.914 2.493 1.00 0.00 H new ATOM 0 HB THR A 72 -12.285 -14.452 2.503 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.079 -15.105 0.201 1.00 0.00 H new ATOM 0 HG21 THR A 72 -11.408 -12.948 0.756 1.00 0.00 H new ATOM 0 HG22 THR A 72 -10.562 -12.719 2.306 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.781 -13.630 0.992 1.00 0.00 H new ATOM 1154 N ASN A 73 -8.448 -14.202 3.834 1.00 0.00 N ATOM 1155 CA ASN A 73 -7.713 -13.215 4.617 1.00 0.00 C ATOM 1156 C ASN A 73 -8.522 -11.931 4.772 1.00 0.00 C ATOM 1157 O ASN A 73 -8.943 -11.311 3.795 1.00 0.00 O ATOM 1158 CB ASN A 73 -6.368 -12.907 3.956 1.00 0.00 C ATOM 1159 CG ASN A 73 -5.323 -13.966 4.251 1.00 0.00 C ATOM 1160 OD1 ASN A 73 -5.134 -14.364 5.400 1.00 0.00 O ATOM 1161 ND2 ASN A 73 -4.638 -14.426 3.211 1.00 0.00 N ATOM 0 H ASN A 73 -7.862 -14.798 3.249 1.00 0.00 H new ATOM 0 HA ASN A 73 -7.536 -13.633 5.608 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.506 -12.827 2.878 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.008 -11.939 4.304 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.921 -15.139 3.347 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -4.829 -14.067 2.276 1.00 0.00 H new ATOM 1168 N PRO A 74 -8.746 -11.521 6.030 1.00 0.00 N ATOM 1169 CA PRO A 74 -9.504 -10.306 6.343 1.00 0.00 C ATOM 1170 C PRO A 74 -8.752 -9.037 5.958 1.00 0.00 C ATOM 1171 O PRO A 74 -7.790 -9.082 5.191 1.00 0.00 O ATOM 1172 CB PRO A 74 -9.684 -10.382 7.861 1.00 0.00 C ATOM 1173 CG PRO A 74 -8.544 -11.215 8.337 1.00 0.00 C ATOM 1174 CD PRO A 74 -8.274 -12.210 7.242 1.00 0.00 C ATOM 0 HA PRO A 74 -10.442 -10.258 5.790 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.665 -9.390 8.312 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -10.641 -10.833 8.124 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -7.665 -10.600 8.531 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -8.792 -11.720 9.271 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.215 -12.458 7.176 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.810 -13.145 7.407 1.00 0.00 H new ATOM 1182 N HIS A 75 -9.196 -7.905 6.496 1.00 0.00 N ATOM 1183 CA HIS A 75 -8.563 -6.623 6.209 1.00 0.00 C ATOM 1184 C HIS A 75 -8.105 -5.943 7.496 1.00 0.00 C ATOM 1185 O HIS A 75 -8.544 -6.302 8.589 1.00 0.00 O ATOM 1186 CB HIS A 75 -9.529 -5.711 5.453 1.00 0.00 C ATOM 1187 CG HIS A 75 -10.818 -5.471 6.178 1.00 0.00 C ATOM 1188 ND1 HIS A 75 -11.670 -6.487 6.555 1.00 0.00 N ATOM 1189 CD2 HIS A 75 -11.397 -4.321 6.596 1.00 0.00 C ATOM 1190 CE1 HIS A 75 -12.718 -5.973 7.172 1.00 0.00 C ATOM 1191 NE2 HIS A 75 -12.577 -4.661 7.211 1.00 0.00 N ATOM 0 H HIS A 75 -9.991 -7.850 7.133 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.688 -6.809 5.586 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -9.042 -4.754 5.268 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -9.746 -6.152 4.480 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -11.004 -3.323 6.470 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -13.550 -6.531 7.576 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -13.237 -4.006 7.630 1.00 0.00 H new ATOM 1200 N CYS A 76 -7.221 -4.961 7.359 1.00 0.00 N ATOM 1201 CA CYS A 76 -6.703 -4.232 8.511 1.00 0.00 C ATOM 1202 C CYS A 76 -7.594 -3.040 8.846 1.00 0.00 C ATOM 1203 O CYS A 76 -8.047 -2.889 9.980 1.00 0.00 O ATOM 1204 CB CYS A 76 -5.275 -3.757 8.239 1.00 0.00 C ATOM 1205 SG CYS A 76 -5.054 -2.963 6.630 1.00 0.00 S ATOM 0 H CYS A 76 -6.848 -4.651 6.462 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.697 -4.908 9.366 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -4.982 -3.057 9.021 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -4.601 -4.611 8.306 1.00 0.00 H new ATOM 0 HG CYS A 76 -4.968 -1.676 6.789 1.00 0.00 H new ATOM 1211 N PHE A 77 -7.840 -2.194 7.851 1.00 0.00 N ATOM 1212 CA PHE A 77 -8.674 -1.013 8.040 1.00 0.00 C ATOM 1213 C PHE A 77 -9.498 -0.724 6.789 1.00 0.00 C ATOM 1214 O PHE A 77 -9.185 -1.207 5.701 1.00 0.00 O ATOM 1215 CB PHE A 77 -7.808 0.199 8.386 1.00 0.00 C ATOM 1216 CG PHE A 77 -6.667 0.412 7.433 1.00 0.00 C ATOM 1217 CD1 PHE A 77 -5.451 -0.221 7.634 1.00 0.00 C ATOM 1218 CD2 PHE A 77 -6.810 1.246 6.335 1.00 0.00 C ATOM 1219 CE1 PHE A 77 -4.399 -0.027 6.759 1.00 0.00 C ATOM 1220 CE2 PHE A 77 -5.762 1.443 5.456 1.00 0.00 C ATOM 1221 CZ PHE A 77 -4.554 0.807 5.669 1.00 0.00 C ATOM 0 H PHE A 77 -7.474 -2.304 6.906 1.00 0.00 H new ATOM 0 HA PHE A 77 -9.357 -1.209 8.866 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -8.434 1.091 8.396 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -7.411 0.076 9.394 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.324 -0.874 8.485 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.751 1.748 6.165 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.457 -0.527 6.927 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.887 2.094 4.603 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.733 0.962 4.985 1.00 0.00 H new ATOM 1231 N GLU A 78 -10.554 0.068 6.953 1.00 0.00 N ATOM 1232 CA GLU A 78 -11.424 0.421 5.837 1.00 0.00 C ATOM 1233 C GLU A 78 -11.335 1.913 5.529 1.00 0.00 C ATOM 1234 O GLU A 78 -11.446 2.750 6.426 1.00 0.00 O ATOM 1235 CB GLU A 78 -12.872 0.039 6.149 1.00 0.00 C ATOM 1236 CG GLU A 78 -13.099 -1.461 6.239 1.00 0.00 C ATOM 1237 CD GLU A 78 -14.447 -1.812 6.839 1.00 0.00 C ATOM 1238 OE1 GLU A 78 -15.459 -1.727 6.113 1.00 0.00 O ATOM 1239 OE2 GLU A 78 -14.489 -2.171 8.034 1.00 0.00 O ATOM 0 H GLU A 78 -10.827 0.477 7.847 1.00 0.00 H new ATOM 0 HA GLU A 78 -11.091 -0.134 4.960 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.165 0.500 7.092 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -13.522 0.451 5.377 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.025 -1.896 5.243 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.309 -1.909 6.842 1.00 0.00 H new ATOM 1246 N ILE A 79 -11.135 2.238 4.256 1.00 0.00 N ATOM 1247 CA ILE A 79 -11.032 3.628 3.830 1.00 0.00 C ATOM 1248 C ILE A 79 -12.343 4.115 3.222 1.00 0.00 C ATOM 1249 O ILE A 79 -12.481 4.197 2.001 1.00 0.00 O ATOM 1250 CB ILE A 79 -9.901 3.820 2.803 1.00 0.00 C ATOM 1251 CG1 ILE A 79 -8.628 3.114 3.276 1.00 0.00 C ATOM 1252 CG2 ILE A 79 -9.637 5.301 2.576 1.00 0.00 C ATOM 1253 CD1 ILE A 79 -7.580 2.969 2.195 1.00 0.00 C ATOM 0 H ILE A 79 -11.041 1.558 3.502 1.00 0.00 H new ATOM 0 HA ILE A 79 -10.807 4.215 4.720 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.211 3.377 1.857 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -8.202 3.671 4.111 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.889 2.125 3.652 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.835 5.420 1.848 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -10.542 5.779 2.201 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -9.345 5.767 3.517 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.706 2.460 2.601 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.988 2.386 1.369 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.290 3.956 1.835 1.00 0.00 H new ATOM 1265 N VAL A 80 -13.304 4.439 4.082 1.00 0.00 N ATOM 1266 CA VAL A 80 -14.604 4.921 3.630 1.00 0.00 C ATOM 1267 C VAL A 80 -14.451 6.095 2.669 1.00 0.00 C ATOM 1268 O VAL A 80 -14.259 7.236 3.090 1.00 0.00 O ATOM 1269 CB VAL A 80 -15.485 5.354 4.817 1.00 0.00 C ATOM 1270 CG1 VAL A 80 -16.829 5.870 4.324 1.00 0.00 C ATOM 1271 CG2 VAL A 80 -15.672 4.200 5.790 1.00 0.00 C ATOM 0 H VAL A 80 -13.207 4.376 5.095 1.00 0.00 H new ATOM 0 HA VAL A 80 -15.087 4.092 3.112 1.00 0.00 H new ATOM 0 HB VAL A 80 -14.982 6.165 5.344 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -17.438 6.171 5.176 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -16.672 6.727 3.669 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -17.341 5.082 3.773 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -16.297 4.524 6.622 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -16.153 3.367 5.278 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -14.700 3.882 6.168 1.00 0.00 H new ATOM 1281 N THR A 81 -14.538 5.808 1.374 1.00 0.00 N ATOM 1282 CA THR A 81 -14.409 6.839 0.352 1.00 0.00 C ATOM 1283 C THR A 81 -15.776 7.319 -0.120 1.00 0.00 C ATOM 1284 O THR A 81 -16.808 6.816 0.323 1.00 0.00 O ATOM 1285 CB THR A 81 -13.609 6.330 -0.862 1.00 0.00 C ATOM 1286 OG1 THR A 81 -14.287 5.222 -1.466 1.00 0.00 O ATOM 1287 CG2 THR A 81 -12.207 5.908 -0.448 1.00 0.00 C ATOM 0 H THR A 81 -14.697 4.869 1.008 1.00 0.00 H new ATOM 0 HA THR A 81 -13.872 7.671 0.808 1.00 0.00 H new ATOM 0 HB THR A 81 -13.529 7.143 -1.583 1.00 0.00 H new ATOM 0 HG1 THR A 81 -14.572 4.594 -0.770 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.661 5.552 -1.322 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.683 6.760 -0.015 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.271 5.109 0.290 1.00 0.00 H new ATOM 1295 N ALA A 82 -15.777 8.295 -1.022 1.00 0.00 N ATOM 1296 CA ALA A 82 -17.018 8.841 -1.557 1.00 0.00 C ATOM 1297 C ALA A 82 -17.566 7.964 -2.677 1.00 0.00 C ATOM 1298 O ALA A 82 -18.409 8.397 -3.461 1.00 0.00 O ATOM 1299 CB ALA A 82 -16.798 10.262 -2.055 1.00 0.00 C ATOM 0 H ALA A 82 -14.931 8.724 -1.398 1.00 0.00 H new ATOM 0 HA ALA A 82 -17.754 8.860 -0.753 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -17.733 10.657 -2.452 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -16.460 10.889 -1.230 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -16.043 10.259 -2.841 1.00 0.00 H new ATOM 1305 N ASN A 83 -17.081 6.729 -2.746 1.00 0.00 N ATOM 1306 CA ASN A 83 -17.522 5.791 -3.772 1.00 0.00 C ATOM 1307 C ASN A 83 -17.960 4.469 -3.149 1.00 0.00 C ATOM 1308 O ASN A 83 -18.939 3.861 -3.581 1.00 0.00 O ATOM 1309 CB ASN A 83 -16.401 5.544 -4.784 1.00 0.00 C ATOM 1310 CG ASN A 83 -16.512 4.187 -5.451 1.00 0.00 C ATOM 1311 OD1 ASN A 83 -15.804 3.246 -5.090 1.00 0.00 O ATOM 1312 ND2 ASN A 83 -17.403 4.080 -6.430 1.00 0.00 N ATOM 0 H ASN A 83 -16.383 6.354 -2.104 1.00 0.00 H new ATOM 0 HA ASN A 83 -18.376 6.231 -4.287 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -16.425 6.323 -5.546 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -15.437 5.620 -4.280 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -17.522 3.191 -6.916 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -17.968 4.887 -6.696 1.00 0.00 H new ATOM 1319 N ALA A 84 -17.227 4.030 -2.131 1.00 0.00 N ATOM 1320 CA ALA A 84 -17.541 2.782 -1.446 1.00 0.00 C ATOM 1321 C ALA A 84 -16.583 2.536 -0.286 1.00 0.00 C ATOM 1322 O ALA A 84 -15.640 3.300 -0.073 1.00 0.00 O ATOM 1323 CB ALA A 84 -17.497 1.618 -2.425 1.00 0.00 C ATOM 0 H ALA A 84 -16.412 4.520 -1.763 1.00 0.00 H new ATOM 0 HA ALA A 84 -18.549 2.863 -1.039 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -17.733 0.692 -1.900 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -18.226 1.782 -3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -16.500 1.545 -2.859 1.00 0.00 H new ATOM 1329 N THR A 85 -16.829 1.466 0.464 1.00 0.00 N ATOM 1330 CA THR A 85 -15.990 1.121 1.604 1.00 0.00 C ATOM 1331 C THR A 85 -14.821 0.240 1.179 1.00 0.00 C ATOM 1332 O THR A 85 -15.008 -0.916 0.800 1.00 0.00 O ATOM 1333 CB THR A 85 -16.796 0.393 2.696 1.00 0.00 C ATOM 1334 OG1 THR A 85 -18.039 1.069 2.919 1.00 0.00 O ATOM 1335 CG2 THR A 85 -16.009 0.326 3.995 1.00 0.00 C ATOM 0 H THR A 85 -17.604 0.823 0.301 1.00 0.00 H new ATOM 0 HA THR A 85 -15.608 2.058 2.009 1.00 0.00 H new ATOM 0 HB THR A 85 -16.992 -0.624 2.356 1.00 0.00 H new ATOM 0 HG1 THR A 85 -18.547 0.599 3.613 1.00 0.00 H new ATOM 0 HG21 THR A 85 -16.598 -0.192 4.751 1.00 0.00 H new ATOM 0 HG22 THR A 85 -15.077 -0.214 3.828 1.00 0.00 H new ATOM 0 HG23 THR A 85 -15.787 1.336 4.338 1.00 0.00 H new ATOM 1343 N TYR A 86 -13.615 0.793 1.245 1.00 0.00 N ATOM 1344 CA TYR A 86 -12.415 0.057 0.865 1.00 0.00 C ATOM 1345 C TYR A 86 -12.042 -0.966 1.934 1.00 0.00 C ATOM 1346 O TYR A 86 -12.397 -0.817 3.104 1.00 0.00 O ATOM 1347 CB TYR A 86 -11.250 1.021 0.638 1.00 0.00 C ATOM 1348 CG TYR A 86 -11.349 1.797 -0.656 1.00 0.00 C ATOM 1349 CD1 TYR A 86 -12.528 1.810 -1.392 1.00 0.00 C ATOM 1350 CD2 TYR A 86 -10.265 2.517 -1.142 1.00 0.00 C ATOM 1351 CE1 TYR A 86 -12.623 2.517 -2.575 1.00 0.00 C ATOM 1352 CE2 TYR A 86 -10.352 3.228 -2.324 1.00 0.00 C ATOM 1353 CZ TYR A 86 -11.533 3.225 -3.036 1.00 0.00 C ATOM 1354 OH TYR A 86 -11.623 3.930 -4.214 1.00 0.00 O ATOM 0 H TYR A 86 -13.442 1.748 1.558 1.00 0.00 H new ATOM 0 HA TYR A 86 -12.624 -0.474 -0.064 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -11.203 1.723 1.470 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.317 0.458 0.643 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -13.384 1.258 -1.033 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.339 2.521 -0.587 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -13.546 2.515 -3.136 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -9.500 3.783 -2.688 1.00 0.00 H new ATOM 0 HH TYR A 86 -10.768 4.374 -4.396 1.00 0.00 H new ATOM 1364 N PHE A 87 -11.323 -2.006 1.523 1.00 0.00 N ATOM 1365 CA PHE A 87 -10.901 -3.055 2.444 1.00 0.00 C ATOM 1366 C PHE A 87 -9.434 -3.413 2.226 1.00 0.00 C ATOM 1367 O PHE A 87 -9.114 -4.365 1.515 1.00 0.00 O ATOM 1368 CB PHE A 87 -11.773 -4.300 2.267 1.00 0.00 C ATOM 1369 CG PHE A 87 -13.167 -4.137 2.801 1.00 0.00 C ATOM 1370 CD1 PHE A 87 -14.102 -3.378 2.115 1.00 0.00 C ATOM 1371 CD2 PHE A 87 -13.543 -4.742 3.989 1.00 0.00 C ATOM 1372 CE1 PHE A 87 -15.385 -3.226 2.606 1.00 0.00 C ATOM 1373 CE2 PHE A 87 -14.825 -4.594 4.484 1.00 0.00 C ATOM 1374 CZ PHE A 87 -15.747 -3.835 3.791 1.00 0.00 C ATOM 0 H PHE A 87 -11.021 -2.145 0.559 1.00 0.00 H new ATOM 0 HA PHE A 87 -11.018 -2.679 3.461 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -11.825 -4.549 1.207 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -11.296 -5.142 2.769 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -13.825 -2.900 1.187 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -12.826 -5.337 4.535 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -16.104 -2.631 2.063 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -15.105 -5.071 5.411 1.00 0.00 H new ATOM 0 HZ PHE A 87 -16.750 -3.718 4.175 1.00 0.00 H new ATOM 1384 N VAL A 88 -8.545 -2.641 2.843 1.00 0.00 N ATOM 1385 CA VAL A 88 -7.111 -2.875 2.717 1.00 0.00 C ATOM 1386 C VAL A 88 -6.643 -3.951 3.691 1.00 0.00 C ATOM 1387 O VAL A 88 -7.045 -3.968 4.853 1.00 0.00 O ATOM 1388 CB VAL A 88 -6.308 -1.585 2.969 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -4.819 -1.841 2.791 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -6.781 -0.474 2.044 1.00 0.00 C ATOM 0 H VAL A 88 -8.792 -1.848 3.435 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.933 -3.211 1.696 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.478 -1.266 3.997 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.267 -0.919 2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.494 -2.604 3.498 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.628 -2.184 1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.203 0.430 2.236 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.642 -0.780 1.007 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -7.837 -0.274 2.225 1.00 0.00 H new ATOM 1400 N GLY A 89 -5.788 -4.847 3.207 1.00 0.00 N ATOM 1401 CA GLY A 89 -5.278 -5.915 4.048 1.00 0.00 C ATOM 1402 C GLY A 89 -4.415 -6.895 3.280 1.00 0.00 C ATOM 1403 O GLY A 89 -3.592 -6.495 2.457 1.00 0.00 O ATOM 0 H GLY A 89 -5.440 -4.853 2.248 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.696 -5.485 4.863 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.114 -6.448 4.500 1.00 0.00 H new ATOM 1407 N GLU A 90 -4.600 -8.184 3.551 1.00 0.00 N ATOM 1408 CA GLU A 90 -3.829 -9.224 2.881 1.00 0.00 C ATOM 1409 C GLU A 90 -4.609 -9.808 1.707 1.00 0.00 C ATOM 1410 O GLU A 90 -5.828 -9.656 1.621 1.00 0.00 O ATOM 1411 CB GLU A 90 -3.462 -10.334 3.867 1.00 0.00 C ATOM 1412 CG GLU A 90 -2.484 -11.351 3.303 1.00 0.00 C ATOM 1413 CD GLU A 90 -1.126 -10.748 3.000 1.00 0.00 C ATOM 1414 OE1 GLU A 90 -0.809 -9.684 3.572 1.00 0.00 O ATOM 1415 OE2 GLU A 90 -0.381 -11.340 2.192 1.00 0.00 O ATOM 0 H GLU A 90 -5.277 -8.532 4.230 1.00 0.00 H new ATOM 0 HA GLU A 90 -2.914 -8.772 2.498 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.031 -9.885 4.762 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.371 -10.850 4.176 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.364 -12.168 4.015 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.898 -11.781 2.391 1.00 0.00 H new ATOM 1422 N MET A 91 -3.898 -10.477 0.806 1.00 0.00 N ATOM 1423 CA MET A 91 -4.523 -11.086 -0.363 1.00 0.00 C ATOM 1424 C MET A 91 -4.365 -12.603 -0.337 1.00 0.00 C ATOM 1425 O MET A 91 -3.425 -13.142 0.248 1.00 0.00 O ATOM 1426 CB MET A 91 -3.914 -10.520 -1.647 1.00 0.00 C ATOM 1427 CG MET A 91 -2.461 -10.914 -1.855 1.00 0.00 C ATOM 1428 SD MET A 91 -1.878 -10.560 -3.524 1.00 0.00 S ATOM 1429 CE MET A 91 -2.973 -11.595 -4.493 1.00 0.00 C ATOM 0 H MET A 91 -2.888 -10.611 0.862 1.00 0.00 H new ATOM 0 HA MET A 91 -5.587 -10.849 -0.339 1.00 0.00 H new ATOM 0 HB2 MET A 91 -4.501 -10.863 -2.499 1.00 0.00 H new ATOM 0 HB3 MET A 91 -3.988 -9.433 -1.626 1.00 0.00 H new ATOM 0 HG2 MET A 91 -1.838 -10.382 -1.136 1.00 0.00 H new ATOM 0 HG3 MET A 91 -2.344 -11.979 -1.652 1.00 0.00 H new ATOM 0 HE1 MET A 91 -2.481 -11.872 -5.426 1.00 0.00 H new ATOM 0 HE2 MET A 91 -3.216 -12.496 -3.929 1.00 0.00 H new ATOM 0 HE3 MET A 91 -3.889 -11.048 -4.715 1.00 0.00 H new ATOM 1439 N PRO A 92 -5.304 -13.308 -0.984 1.00 0.00 N ATOM 1440 CA PRO A 92 -5.289 -14.773 -1.049 1.00 0.00 C ATOM 1441 C PRO A 92 -4.153 -15.303 -1.917 1.00 0.00 C ATOM 1442 O PRO A 92 -4.040 -14.951 -3.090 1.00 0.00 O ATOM 1443 CB PRO A 92 -6.644 -15.114 -1.674 1.00 0.00 C ATOM 1444 CG PRO A 92 -7.015 -13.902 -2.459 1.00 0.00 C ATOM 1445 CD PRO A 92 -6.452 -12.731 -1.702 1.00 0.00 C ATOM 0 HA PRO A 92 -5.131 -15.223 -0.069 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -6.575 -15.994 -2.313 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -7.389 -15.334 -0.909 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.604 -13.949 -3.467 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -8.097 -13.818 -2.560 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -6.144 -11.929 -2.373 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -7.184 -12.308 -1.014 1.00 0.00 H new ATOM 1453 N GLY A 93 -3.314 -16.152 -1.332 1.00 0.00 N ATOM 1454 CA GLY A 93 -2.198 -16.718 -2.068 1.00 0.00 C ATOM 1455 C GLY A 93 -1.044 -17.104 -1.164 1.00 0.00 C ATOM 1456 O GLY A 93 0.002 -16.457 -1.170 1.00 0.00 O ATOM 0 H GLY A 93 -3.387 -16.458 -0.362 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.537 -17.598 -2.616 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.851 -15.996 -2.807 1.00 0.00 H new ATOM 1460 N GLY A 94 -1.235 -18.163 -0.382 1.00 0.00 N ATOM 1461 CA GLY A 94 -0.194 -18.615 0.522 1.00 0.00 C ATOM 1462 C GLY A 94 1.190 -18.511 -0.089 1.00 0.00 C ATOM 1463 O GLY A 94 1.440 -19.042 -1.172 1.00 0.00 O ATOM 0 H GLY A 94 -2.092 -18.715 -0.359 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -0.229 -18.023 1.437 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -0.386 -19.650 0.804 1.00 0.00 H new ATOM 1467 N THR A 95 2.092 -17.825 0.605 1.00 0.00 N ATOM 1468 CA THR A 95 3.456 -17.650 0.124 1.00 0.00 C ATOM 1469 C THR A 95 4.352 -18.795 0.584 1.00 0.00 C ATOM 1470 O THR A 95 4.115 -19.425 1.614 1.00 0.00 O ATOM 1471 CB THR A 95 4.056 -16.317 0.607 1.00 0.00 C ATOM 1472 OG1 THR A 95 3.993 -16.240 2.036 1.00 0.00 O ATOM 1473 CG2 THR A 95 3.315 -15.137 -0.002 1.00 0.00 C ATOM 0 H THR A 95 1.902 -17.381 1.503 1.00 0.00 H new ATOM 0 HA THR A 95 3.409 -17.644 -0.965 1.00 0.00 H new ATOM 0 HB THR A 95 5.097 -16.276 0.287 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.378 -15.390 2.335 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.757 -14.207 0.354 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.390 -15.182 -1.088 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.266 -15.176 0.291 1.00 0.00 H new ATOM 1481 N PRO A 96 5.408 -19.071 -0.196 1.00 0.00 N ATOM 1482 CA PRO A 96 6.361 -20.140 0.113 1.00 0.00 C ATOM 1483 C PRO A 96 7.221 -19.817 1.330 1.00 0.00 C ATOM 1484 O PRO A 96 8.342 -19.327 1.197 1.00 0.00 O ATOM 1485 CB PRO A 96 7.227 -20.219 -1.148 1.00 0.00 C ATOM 1486 CG PRO A 96 7.133 -18.862 -1.756 1.00 0.00 C ATOM 1487 CD PRO A 96 5.752 -18.361 -1.439 1.00 0.00 C ATOM 0 HA PRO A 96 5.858 -21.075 0.361 1.00 0.00 H new ATOM 0 HB2 PRO A 96 8.259 -20.474 -0.905 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.862 -20.986 -1.832 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.893 -18.197 -1.346 1.00 0.00 H new ATOM 0 HG3 PRO A 96 7.295 -18.905 -2.833 1.00 0.00 H new ATOM 0 HD2 PRO A 96 5.739 -17.280 -1.301 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.048 -18.589 -2.240 1.00 0.00 H new ATOM 1495 N GLY A 97 6.689 -20.094 2.516 1.00 0.00 N ATOM 1496 CA GLY A 97 7.422 -19.826 3.739 1.00 0.00 C ATOM 1497 C GLY A 97 7.438 -21.016 4.679 1.00 0.00 C ATOM 1498 O GLY A 97 8.020 -22.054 4.367 1.00 0.00 O ATOM 0 H GLY A 97 5.763 -20.499 2.652 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.447 -19.549 3.491 1.00 0.00 H new ATOM 0 HA3 GLY A 97 6.975 -18.972 4.247 1.00 0.00 H new ATOM 1502 N GLY A 98 6.797 -20.865 5.834 1.00 0.00 N ATOM 1503 CA GLY A 98 6.753 -21.942 6.805 1.00 0.00 C ATOM 1504 C GLY A 98 5.812 -21.649 7.955 1.00 0.00 C ATOM 1505 O GLY A 98 4.669 -21.234 7.760 1.00 0.00 O ATOM 0 H GLY A 98 6.307 -20.015 6.114 1.00 0.00 H new ATOM 0 HA2 GLY A 98 6.440 -22.861 6.309 1.00 0.00 H new ATOM 0 HA3 GLY A 98 7.756 -22.116 7.196 1.00 0.00 H new ATOM 1509 N PRO A 99 6.292 -21.867 9.189 1.00 0.00 N ATOM 1510 CA PRO A 99 5.500 -21.631 10.400 1.00 0.00 C ATOM 1511 C PRO A 99 5.256 -20.147 10.652 1.00 0.00 C ATOM 1512 O PRO A 99 4.667 -19.768 11.664 1.00 0.00 O ATOM 1513 CB PRO A 99 6.367 -22.226 11.512 1.00 0.00 C ATOM 1514 CG PRO A 99 7.758 -22.164 10.982 1.00 0.00 C ATOM 1515 CD PRO A 99 7.644 -22.362 9.496 1.00 0.00 C ATOM 0 HA PRO A 99 4.507 -22.075 10.331 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.270 -21.657 12.437 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.074 -23.252 11.736 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.221 -21.205 11.213 1.00 0.00 H new ATOM 0 HG3 PRO A 99 8.382 -22.936 11.432 1.00 0.00 H new ATOM 0 HD2 PRO A 99 8.409 -21.803 8.956 1.00 0.00 H new ATOM 0 HD3 PRO A 99 7.761 -23.410 9.220 1.00 0.00 H new ATOM 1523 N SER A 100 5.711 -19.311 9.724 1.00 0.00 N ATOM 1524 CA SER A 100 5.544 -17.867 9.848 1.00 0.00 C ATOM 1525 C SER A 100 4.878 -17.289 8.603 1.00 0.00 C ATOM 1526 O SER A 100 5.311 -17.542 7.480 1.00 0.00 O ATOM 1527 CB SER A 100 6.899 -17.194 10.075 1.00 0.00 C ATOM 1528 OG SER A 100 7.615 -17.065 8.859 1.00 0.00 O ATOM 0 H SER A 100 6.198 -19.608 8.878 1.00 0.00 H new ATOM 0 HA SER A 100 4.901 -17.672 10.706 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.750 -16.210 10.519 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.484 -17.778 10.785 1.00 0.00 H new ATOM 0 HG SER A 100 7.023 -17.276 8.107 1.00 0.00 H new ATOM 1534 N GLY A 101 3.822 -16.509 8.813 1.00 0.00 N ATOM 1535 CA GLY A 101 3.112 -15.906 7.700 1.00 0.00 C ATOM 1536 C GLY A 101 3.323 -14.407 7.622 1.00 0.00 C ATOM 1537 O GLY A 101 4.024 -13.829 8.451 1.00 0.00 O ATOM 0 H GLY A 101 3.446 -16.284 9.734 1.00 0.00 H new ATOM 0 HA2 GLY A 101 3.444 -16.366 6.769 1.00 0.00 H new ATOM 0 HA3 GLY A 101 2.047 -16.115 7.796 1.00 0.00 H new ATOM 1541 N GLN A 102 2.716 -13.777 6.621 1.00 0.00 N ATOM 1542 CA GLN A 102 2.843 -12.337 6.437 1.00 0.00 C ATOM 1543 C GLN A 102 1.481 -11.697 6.190 1.00 0.00 C ATOM 1544 O GLN A 102 0.574 -12.331 5.652 1.00 0.00 O ATOM 1545 CB GLN A 102 3.782 -12.032 5.268 1.00 0.00 C ATOM 1546 CG GLN A 102 3.928 -10.547 4.977 1.00 0.00 C ATOM 1547 CD GLN A 102 5.079 -10.247 4.036 1.00 0.00 C ATOM 1548 OE1 GLN A 102 5.035 -10.589 2.854 1.00 0.00 O ATOM 1549 NE2 GLN A 102 6.118 -9.605 4.558 1.00 0.00 N ATOM 0 H GLN A 102 2.132 -14.241 5.926 1.00 0.00 H new ATOM 0 HA GLN A 102 3.262 -11.915 7.351 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.765 -12.450 5.484 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.411 -12.534 4.374 1.00 0.00 H new ATOM 0 HG2 GLN A 102 3.001 -10.173 4.542 1.00 0.00 H new ATOM 0 HG3 GLN A 102 4.080 -10.010 5.913 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.112 -9.341 5.543 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.922 -9.376 3.974 1.00 0.00 H new ATOM 1558 N GLY A 103 1.344 -10.436 6.589 1.00 0.00 N ATOM 1559 CA GLY A 103 0.088 -9.731 6.404 1.00 0.00 C ATOM 1560 C GLY A 103 -0.670 -9.547 7.703 1.00 0.00 C ATOM 1561 O GLY A 103 -1.865 -9.831 7.777 1.00 0.00 O ATOM 0 H GLY A 103 2.080 -9.890 7.037 1.00 0.00 H new ATOM 0 HA2 GLY A 103 0.285 -8.755 5.960 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -0.534 -10.282 5.699 1.00 0.00 H new ATOM 1565 N ALA A 104 0.026 -9.072 8.731 1.00 0.00 N ATOM 1566 CA ALA A 104 -0.590 -8.850 10.033 1.00 0.00 C ATOM 1567 C ALA A 104 -0.180 -7.500 10.611 1.00 0.00 C ATOM 1568 O ALA A 104 -1.020 -6.627 10.829 1.00 0.00 O ATOM 1569 CB ALA A 104 -0.217 -9.972 10.991 1.00 0.00 C ATOM 0 H ALA A 104 1.017 -8.834 8.687 1.00 0.00 H new ATOM 0 HA ALA A 104 -1.672 -8.845 9.900 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -0.684 -9.794 11.960 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.566 -10.924 10.590 1.00 0.00 H new ATOM 0 HB3 ALA A 104 0.866 -10.003 11.110 1.00 0.00 H new ATOM 1575 N GLU A 105 1.116 -7.336 10.858 1.00 0.00 N ATOM 1576 CA GLU A 105 1.635 -6.091 11.413 1.00 0.00 C ATOM 1577 C GLU A 105 1.808 -5.039 10.321 1.00 0.00 C ATOM 1578 O GLU A 105 1.295 -3.926 10.432 1.00 0.00 O ATOM 1579 CB GLU A 105 2.973 -6.339 12.114 1.00 0.00 C ATOM 1580 CG GLU A 105 2.830 -6.754 13.568 1.00 0.00 C ATOM 1581 CD GLU A 105 4.097 -7.374 14.125 1.00 0.00 C ATOM 1582 OE1 GLU A 105 4.530 -8.418 13.595 1.00 0.00 O ATOM 1583 OE2 GLU A 105 4.656 -6.813 15.091 1.00 0.00 O ATOM 0 H GLU A 105 1.825 -8.048 10.683 1.00 0.00 H new ATOM 0 HA GLU A 105 0.914 -5.719 12.141 1.00 0.00 H new ATOM 0 HB2 GLU A 105 3.518 -7.115 11.575 1.00 0.00 H new ATOM 0 HB3 GLU A 105 3.575 -5.432 12.061 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.563 -5.883 14.166 1.00 0.00 H new ATOM 0 HG3 GLU A 105 2.010 -7.467 13.660 1.00 0.00 H new ATOM 1590 N ALA A 106 2.533 -5.401 9.268 1.00 0.00 N ATOM 1591 CA ALA A 106 2.772 -4.490 8.156 1.00 0.00 C ATOM 1592 C ALA A 106 1.558 -3.602 7.902 1.00 0.00 C ATOM 1593 O ALA A 106 1.696 -2.441 7.521 1.00 0.00 O ATOM 1594 CB ALA A 106 3.128 -5.272 6.900 1.00 0.00 C ATOM 0 H ALA A 106 2.965 -6.319 9.162 1.00 0.00 H new ATOM 0 HA ALA A 106 3.611 -3.846 8.420 1.00 0.00 H new ATOM 0 HB1 ALA A 106 3.304 -4.579 6.077 1.00 0.00 H new ATOM 0 HB2 ALA A 106 4.029 -5.858 7.080 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.306 -5.940 6.642 1.00 0.00 H new ATOM 1600 N ALA A 107 0.370 -4.158 8.116 1.00 0.00 N ATOM 1601 CA ALA A 107 -0.868 -3.416 7.912 1.00 0.00 C ATOM 1602 C ALA A 107 -0.996 -2.275 8.915 1.00 0.00 C ATOM 1603 O ALA A 107 -1.139 -1.114 8.533 1.00 0.00 O ATOM 1604 CB ALA A 107 -2.065 -4.349 8.015 1.00 0.00 C ATOM 0 H ALA A 107 0.239 -5.119 8.430 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.843 -2.984 6.912 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.983 -3.782 7.861 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.987 -5.126 7.255 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.084 -4.808 9.003 1.00 0.00 H new ATOM 1610 N ARG A 108 -0.944 -2.614 10.199 1.00 0.00 N ATOM 1611 CA ARG A 108 -1.057 -1.617 11.257 1.00 0.00 C ATOM 1612 C ARG A 108 -0.307 -0.342 10.884 1.00 0.00 C ATOM 1613 O ARG A 108 -0.771 0.765 11.154 1.00 0.00 O ATOM 1614 CB ARG A 108 -0.512 -2.176 12.573 1.00 0.00 C ATOM 1615 CG ARG A 108 0.987 -1.989 12.740 1.00 0.00 C ATOM 1616 CD ARG A 108 1.554 -2.941 13.781 1.00 0.00 C ATOM 1617 NE ARG A 108 1.536 -2.361 15.121 1.00 0.00 N ATOM 1618 CZ ARG A 108 2.476 -1.543 15.581 1.00 0.00 C ATOM 1619 NH1 ARG A 108 3.504 -1.210 14.812 1.00 0.00 N ATOM 1620 NH2 ARG A 108 2.390 -1.055 16.812 1.00 0.00 N ATOM 0 H ARG A 108 -0.824 -3.571 10.532 1.00 0.00 H new ATOM 0 HA ARG A 108 -2.112 -1.374 11.382 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -1.025 -1.691 13.404 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -0.746 -3.239 12.631 1.00 0.00 H new ATOM 0 HG2 ARG A 108 1.484 -2.155 11.784 1.00 0.00 H new ATOM 0 HG3 ARG A 108 1.196 -0.960 13.034 1.00 0.00 H new ATOM 0 HD2 ARG A 108 0.977 -3.866 13.779 1.00 0.00 H new ATOM 0 HD3 ARG A 108 2.578 -3.203 13.513 1.00 0.00 H new ATOM 0 HE ARG A 108 0.759 -2.597 15.738 1.00 0.00 H new ATOM 0 HH11 ARG A 108 3.574 -1.582 13.865 1.00 0.00 H new ATOM 0 HH12 ARG A 108 4.224 -0.582 15.168 1.00 0.00 H new ATOM 0 HH21 ARG A 108 1.601 -1.308 17.407 1.00 0.00 H new ATOM 0 HH22 ARG A 108 3.113 -0.427 17.163 1.00 0.00 H new ATOM 1634 N GLY A 109 0.857 -0.506 10.263 1.00 0.00 N ATOM 1635 CA GLY A 109 1.653 0.640 9.864 1.00 0.00 C ATOM 1636 C GLY A 109 0.879 1.609 8.992 1.00 0.00 C ATOM 1637 O GLY A 109 0.878 2.814 9.241 1.00 0.00 O ATOM 0 H GLY A 109 1.263 -1.412 10.029 1.00 0.00 H new ATOM 0 HA2 GLY A 109 2.007 1.160 10.754 1.00 0.00 H new ATOM 0 HA3 GLY A 109 2.535 0.295 9.324 1.00 0.00 H new ATOM 1641 N TRP A 110 0.221 1.081 7.966 1.00 0.00 N ATOM 1642 CA TRP A 110 -0.559 1.908 7.052 1.00 0.00 C ATOM 1643 C TRP A 110 -1.708 2.594 7.784 1.00 0.00 C ATOM 1644 O TRP A 110 -1.942 3.789 7.608 1.00 0.00 O ATOM 1645 CB TRP A 110 -1.105 1.059 5.903 1.00 0.00 C ATOM 1646 CG TRP A 110 -0.057 0.664 4.907 1.00 0.00 C ATOM 1647 CD1 TRP A 110 0.655 -0.502 4.885 1.00 0.00 C ATOM 1648 CD2 TRP A 110 0.398 1.435 3.790 1.00 0.00 C ATOM 1649 NE1 TRP A 110 1.525 -0.502 3.822 1.00 0.00 N ATOM 1650 CE2 TRP A 110 1.386 0.675 3.134 1.00 0.00 C ATOM 1651 CE3 TRP A 110 0.066 2.692 3.279 1.00 0.00 C ATOM 1652 CZ2 TRP A 110 2.044 1.133 1.996 1.00 0.00 C ATOM 1653 CZ3 TRP A 110 0.720 3.146 2.149 1.00 0.00 C ATOM 1654 CH2 TRP A 110 1.699 2.368 1.517 1.00 0.00 C ATOM 0 H TRP A 110 0.212 0.085 7.746 1.00 0.00 H new ATOM 0 HA TRP A 110 0.099 2.676 6.646 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -1.565 0.159 6.312 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -1.891 1.615 5.392 1.00 0.00 H new ATOM 0 HD1 TRP A 110 0.549 -1.306 5.599 1.00 0.00 H new ATOM 0 HE1 TRP A 110 2.170 -1.256 3.584 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -0.688 3.298 3.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 2.800 0.535 1.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 0.472 4.117 1.746 1.00 0.00 H new ATOM 0 HH2 TRP A 110 2.191 2.750 0.635 1.00 0.00 H new ATOM 1665 N GLU A 111 -2.421 1.829 8.606 1.00 0.00 N ATOM 1666 CA GLU A 111 -3.545 2.364 9.363 1.00 0.00 C ATOM 1667 C GLU A 111 -3.212 3.741 9.932 1.00 0.00 C ATOM 1668 O GLU A 111 -3.925 4.715 9.689 1.00 0.00 O ATOM 1669 CB GLU A 111 -3.925 1.410 10.498 1.00 0.00 C ATOM 1670 CG GLU A 111 -5.324 1.641 11.045 1.00 0.00 C ATOM 1671 CD GLU A 111 -5.648 0.738 12.218 1.00 0.00 C ATOM 1672 OE1 GLU A 111 -5.783 -0.485 12.007 1.00 0.00 O ATOM 1673 OE2 GLU A 111 -5.766 1.254 13.349 1.00 0.00 O ATOM 0 H GLU A 111 -2.239 0.838 8.764 1.00 0.00 H new ATOM 0 HA GLU A 111 -4.392 2.465 8.684 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.849 0.384 10.139 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.205 1.518 11.309 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.422 2.682 11.355 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -6.052 1.475 10.251 1.00 0.00 H new ATOM 1680 N THR A 112 -2.124 3.813 10.692 1.00 0.00 N ATOM 1681 CA THR A 112 -1.696 5.069 11.297 1.00 0.00 C ATOM 1682 C THR A 112 -1.139 6.023 10.247 1.00 0.00 C ATOM 1683 O THR A 112 -1.534 7.187 10.180 1.00 0.00 O ATOM 1684 CB THR A 112 -0.626 4.834 12.380 1.00 0.00 C ATOM 1685 OG1 THR A 112 -1.140 3.966 13.396 1.00 0.00 O ATOM 1686 CG2 THR A 112 -0.191 6.151 13.004 1.00 0.00 C ATOM 0 H THR A 112 -1.523 3.017 10.903 1.00 0.00 H new ATOM 0 HA THR A 112 -2.577 5.515 11.758 1.00 0.00 H new ATOM 0 HB THR A 112 0.240 4.369 11.910 1.00 0.00 H new ATOM 0 HG1 THR A 112 -0.453 3.820 14.080 1.00 0.00 H new ATOM 0 HG21 THR A 112 0.565 5.961 13.766 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.226 6.799 12.233 1.00 0.00 H new ATOM 0 HG23 THR A 112 -1.052 6.639 13.461 1.00 0.00 H new ATOM 1694 N ALA A 113 -0.220 5.524 9.428 1.00 0.00 N ATOM 1695 CA ALA A 113 0.389 6.332 8.379 1.00 0.00 C ATOM 1696 C ALA A 113 -0.671 7.071 7.570 1.00 0.00 C ATOM 1697 O ALA A 113 -0.739 8.300 7.595 1.00 0.00 O ATOM 1698 CB ALA A 113 1.239 5.460 7.466 1.00 0.00 C ATOM 0 H ALA A 113 0.120 4.563 9.471 1.00 0.00 H new ATOM 0 HA ALA A 113 1.030 7.075 8.854 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.687 6.077 6.687 1.00 0.00 H new ATOM 0 HB2 ALA A 113 2.026 4.982 8.049 1.00 0.00 H new ATOM 0 HB3 ALA A 113 0.613 4.695 7.007 1.00 0.00 H new ATOM 1704 N ILE A 114 -1.495 6.315 6.853 1.00 0.00 N ATOM 1705 CA ILE A 114 -2.552 6.899 6.037 1.00 0.00 C ATOM 1706 C ILE A 114 -3.316 7.970 6.810 1.00 0.00 C ATOM 1707 O ILE A 114 -3.527 9.076 6.314 1.00 0.00 O ATOM 1708 CB ILE A 114 -3.545 5.828 5.550 1.00 0.00 C ATOM 1709 CG1 ILE A 114 -2.816 4.759 4.733 1.00 0.00 C ATOM 1710 CG2 ILE A 114 -4.653 6.467 4.726 1.00 0.00 C ATOM 1711 CD1 ILE A 114 -3.710 3.622 4.291 1.00 0.00 C ATOM 0 H ILE A 114 -1.451 5.296 6.821 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.068 7.353 5.173 1.00 0.00 H new ATOM 0 HB ILE A 114 -3.996 5.350 6.420 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -2.373 5.225 3.853 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -1.996 4.356 5.327 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.347 5.696 4.389 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -5.187 7.194 5.337 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.220 6.969 3.861 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -3.126 2.902 3.717 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -4.133 3.130 5.167 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -4.516 4.013 3.670 1.00 0.00 H new ATOM 1723 N ARG A 115 -3.725 7.632 8.028 1.00 0.00 N ATOM 1724 CA ARG A 115 -4.465 8.565 8.871 1.00 0.00 C ATOM 1725 C ARG A 115 -3.641 9.819 9.146 1.00 0.00 C ATOM 1726 O ARG A 115 -4.170 10.930 9.155 1.00 0.00 O ATOM 1727 CB ARG A 115 -4.851 7.895 10.191 1.00 0.00 C ATOM 1728 CG ARG A 115 -6.043 6.959 10.074 1.00 0.00 C ATOM 1729 CD ARG A 115 -6.070 5.947 11.208 1.00 0.00 C ATOM 1730 NE ARG A 115 -6.722 6.480 12.401 1.00 0.00 N ATOM 1731 CZ ARG A 115 -6.488 6.031 13.630 1.00 0.00 C ATOM 1732 NH1 ARG A 115 -5.621 5.047 13.825 1.00 0.00 N ATOM 1733 NH2 ARG A 115 -7.121 6.567 14.665 1.00 0.00 N ATOM 0 H ARG A 115 -3.557 6.720 8.453 1.00 0.00 H new ATOM 0 HA ARG A 115 -5.372 8.856 8.340 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -3.995 7.334 10.568 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -5.076 8.666 10.928 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -6.965 7.540 10.081 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -6.004 6.436 9.119 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -6.593 5.049 10.880 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -5.050 5.651 11.454 1.00 0.00 H new ATOM 0 HE ARG A 115 -7.394 7.239 12.285 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -5.132 4.633 13.031 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -5.443 4.704 14.769 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -7.788 7.324 14.518 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -6.941 6.222 15.608 1.00 0.00 H new ATOM 1747 N GLN A 116 -2.344 9.632 9.371 1.00 0.00 N ATOM 1748 CA GLN A 116 -1.449 10.749 9.648 1.00 0.00 C ATOM 1749 C GLN A 116 -1.381 11.700 8.457 1.00 0.00 C ATOM 1750 O GLN A 116 -1.563 12.908 8.605 1.00 0.00 O ATOM 1751 CB GLN A 116 -0.048 10.235 9.986 1.00 0.00 C ATOM 1752 CG GLN A 116 0.028 9.508 11.319 1.00 0.00 C ATOM 1753 CD GLN A 116 0.205 10.453 12.490 1.00 0.00 C ATOM 1754 OE1 GLN A 116 1.286 11.004 12.700 1.00 0.00 O ATOM 1755 NE2 GLN A 116 -0.859 10.647 13.261 1.00 0.00 N ATOM 0 H GLN A 116 -1.890 8.718 9.367 1.00 0.00 H new ATOM 0 HA GLN A 116 -1.844 11.296 10.504 1.00 0.00 H new ATOM 0 HB2 GLN A 116 0.284 9.562 9.195 1.00 0.00 H new ATOM 0 HB3 GLN A 116 0.645 11.076 10.000 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -0.881 8.924 11.462 1.00 0.00 H new ATOM 0 HG3 GLN A 116 0.859 8.803 11.297 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -1.735 10.170 13.050 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -0.800 11.273 14.064 1.00 0.00 H new ATOM 1764 N ALA A 117 -1.117 11.147 7.278 1.00 0.00 N ATOM 1765 CA ALA A 117 -1.027 11.945 6.062 1.00 0.00 C ATOM 1766 C ALA A 117 -2.349 12.646 5.766 1.00 0.00 C ATOM 1767 O ALA A 117 -2.368 13.778 5.281 1.00 0.00 O ATOM 1768 CB ALA A 117 -0.615 11.072 4.887 1.00 0.00 C ATOM 0 H ALA A 117 -0.962 10.148 7.139 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.267 12.711 6.215 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -0.552 11.681 3.985 1.00 0.00 H new ATOM 0 HB2 ALA A 117 0.357 10.623 5.090 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.355 10.285 4.742 1.00 0.00 H new ATOM 1774 N LEU A 118 -3.452 11.967 6.061 1.00 0.00 N ATOM 1775 CA LEU A 118 -4.779 12.524 5.825 1.00 0.00 C ATOM 1776 C LEU A 118 -5.080 13.650 6.809 1.00 0.00 C ATOM 1777 O LEU A 118 -6.097 14.333 6.694 1.00 0.00 O ATOM 1778 CB LEU A 118 -5.842 11.430 5.944 1.00 0.00 C ATOM 1779 CG LEU A 118 -7.269 11.907 6.217 1.00 0.00 C ATOM 1780 CD1 LEU A 118 -7.778 12.755 5.062 1.00 0.00 C ATOM 1781 CD2 LEU A 118 -8.191 10.720 6.458 1.00 0.00 C ATOM 0 H LEU A 118 -3.454 11.030 6.464 1.00 0.00 H new ATOM 0 HA LEU A 118 -4.799 12.934 4.815 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -5.844 10.852 5.020 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -5.548 10.751 6.744 1.00 0.00 H new ATOM 0 HG LEU A 118 -7.261 12.523 7.116 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.795 13.086 5.274 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -7.133 13.624 4.937 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.772 12.164 4.146 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.202 11.078 6.651 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -8.195 10.078 5.577 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -7.837 10.153 7.319 1.00 0.00 H new ATOM 1793 N MET A 119 -4.186 13.839 7.775 1.00 0.00 N ATOM 1794 CA MET A 119 -4.355 14.884 8.777 1.00 0.00 C ATOM 1795 C MET A 119 -4.595 16.238 8.116 1.00 0.00 C ATOM 1796 O MET A 119 -5.103 17.165 8.745 1.00 0.00 O ATOM 1797 CB MET A 119 -3.122 14.957 9.681 1.00 0.00 C ATOM 1798 CG MET A 119 -2.986 13.769 10.619 1.00 0.00 C ATOM 1799 SD MET A 119 -3.815 14.032 12.198 1.00 0.00 S ATOM 1800 CE MET A 119 -4.875 12.590 12.269 1.00 0.00 C ATOM 0 H MET A 119 -3.338 13.282 7.884 1.00 0.00 H new ATOM 0 HA MET A 119 -5.227 14.635 9.382 1.00 0.00 H new ATOM 0 HB2 MET A 119 -2.229 15.023 9.059 1.00 0.00 H new ATOM 0 HB3 MET A 119 -3.168 15.872 10.271 1.00 0.00 H new ATOM 0 HG2 MET A 119 -3.400 12.883 10.139 1.00 0.00 H new ATOM 0 HG3 MET A 119 -1.929 13.570 10.797 1.00 0.00 H new ATOM 0 HE1 MET A 119 -5.454 12.609 13.192 1.00 0.00 H new ATOM 0 HE2 MET A 119 -5.553 12.594 11.415 1.00 0.00 H new ATOM 0 HE3 MET A 119 -4.264 11.688 12.243 1.00 0.00 H new ATOM 1810 N SER A 120 -4.226 16.343 6.843 1.00 0.00 N ATOM 1811 CA SER A 120 -4.398 17.585 6.098 1.00 0.00 C ATOM 1812 C SER A 120 -5.815 17.693 5.542 1.00 0.00 C ATOM 1813 O SER A 120 -6.070 18.450 4.606 1.00 0.00 O ATOM 1814 CB SER A 120 -3.383 17.664 4.956 1.00 0.00 C ATOM 1815 OG SER A 120 -2.169 18.251 5.392 1.00 0.00 O ATOM 0 H SER A 120 -3.806 15.584 6.307 1.00 0.00 H new ATOM 0 HA SER A 120 -4.230 18.417 6.782 1.00 0.00 H new ATOM 0 HB2 SER A 120 -3.188 16.664 4.569 1.00 0.00 H new ATOM 0 HB3 SER A 120 -3.799 18.248 4.135 1.00 0.00 H new ATOM 0 HG SER A 120 -1.537 18.288 4.644 1.00 0.00 H new ATOM 1821 N GLY A 121 -6.733 16.930 6.127 1.00 0.00 N ATOM 1822 CA GLY A 121 -8.113 16.954 5.679 1.00 0.00 C ATOM 1823 C GLY A 121 -8.841 18.211 6.111 1.00 0.00 C ATOM 1824 O GLY A 121 -8.313 19.034 6.860 1.00 0.00 O ATOM 0 H GLY A 121 -6.546 16.296 6.903 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -8.140 16.878 4.592 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -8.635 16.082 6.073 1.00 0.00 H new ATOM 1828 N PRO A 122 -10.084 18.374 5.633 1.00 0.00 N ATOM 1829 CA PRO A 122 -10.912 19.538 5.961 1.00 0.00 C ATOM 1830 C PRO A 122 -11.367 19.535 7.416 1.00 0.00 C ATOM 1831 O PRO A 122 -12.166 20.376 7.829 1.00 0.00 O ATOM 1832 CB PRO A 122 -12.114 19.394 5.024 1.00 0.00 C ATOM 1833 CG PRO A 122 -12.194 17.935 4.733 1.00 0.00 C ATOM 1834 CD PRO A 122 -10.776 17.434 4.736 1.00 0.00 C ATOM 0 HA PRO A 122 -10.367 20.474 5.836 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -13.029 19.755 5.495 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -11.976 19.973 4.111 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -12.792 17.419 5.485 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -12.670 17.755 3.769 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -10.713 16.409 5.102 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -10.345 17.442 3.735 1.00 0.00 H new ATOM 1842 N SER A 123 -10.854 18.583 8.189 1.00 0.00 N ATOM 1843 CA SER A 123 -11.211 18.468 9.599 1.00 0.00 C ATOM 1844 C SER A 123 -10.500 19.534 10.427 1.00 0.00 C ATOM 1845 O SER A 123 -9.901 19.235 11.460 1.00 0.00 O ATOM 1846 CB SER A 123 -10.856 17.076 10.124 1.00 0.00 C ATOM 1847 OG SER A 123 -11.401 16.064 9.295 1.00 0.00 O ATOM 0 H SER A 123 -10.190 17.880 7.863 1.00 0.00 H new ATOM 0 HA SER A 123 -12.287 18.619 9.691 1.00 0.00 H new ATOM 0 HB2 SER A 123 -9.772 16.967 10.171 1.00 0.00 H new ATOM 0 HB3 SER A 123 -11.233 16.960 11.140 1.00 0.00 H new ATOM 0 HG SER A 123 -11.159 15.184 9.651 1.00 0.00 H new ATOM 1853 N SER A 124 -10.571 20.778 9.966 1.00 0.00 N ATOM 1854 CA SER A 124 -9.932 21.889 10.662 1.00 0.00 C ATOM 1855 C SER A 124 -10.552 22.096 12.041 1.00 0.00 C ATOM 1856 O SER A 124 -9.848 22.336 13.020 1.00 0.00 O ATOM 1857 CB SER A 124 -10.053 23.172 9.838 1.00 0.00 C ATOM 1858 OG SER A 124 -9.345 23.062 8.615 1.00 0.00 O ATOM 0 H SER A 124 -11.065 21.042 9.113 1.00 0.00 H new ATOM 0 HA SER A 124 -8.877 21.646 10.790 1.00 0.00 H new ATOM 0 HB2 SER A 124 -11.104 23.380 9.636 1.00 0.00 H new ATOM 0 HB3 SER A 124 -9.666 24.014 10.412 1.00 0.00 H new ATOM 0 HG SER A 124 -9.440 23.894 8.106 1.00 0.00 H new ATOM 1864 N GLY A 125 -11.877 22.000 12.107 1.00 0.00 N ATOM 1865 CA GLY A 125 -12.571 22.179 13.369 1.00 0.00 C ATOM 1866 C GLY A 125 -13.735 23.144 13.259 1.00 0.00 C ATOM 1867 O GLY A 125 -13.558 24.356 13.376 1.00 0.00 O ATOM 0 H GLY A 125 -12.481 21.802 11.310 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -12.935 21.213 13.720 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -11.869 22.546 14.118 1.00 0.00 H new TER 1871 GLY A 125