USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 895 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 71 ASN : amide:sc= -0.035 K(o=-4.1,f=-5.7!) USER MOD Set 1.2: A 74 THR OG1 : rot 180:sc= 0.469 USER MOD Set 1.3: A 105 ASN : amide:sc= -4.55! K(o=-4.1!,f=-2) USER MOD Set 2.1: A 12 TYR OH : rot 130:sc= 1.02 USER MOD Set 2.2: A 109 TYR OH : rot 133:sc= 1.25 USER MOD Single : A 1 GLU N :NH3+ -148:sc= 1.41 (180deg=0.0956) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 ASN : amide:sc= -1.53! C(o=-1.5!,f=-3.4!) USER MOD Single : A 9 THR OG1 : rot 53:sc= 0.283 USER MOD Single : A 10 TYR OH : rot -38:sc= -0.807 USER MOD Single : A 11 HIS : no HD1:sc= -0.0321 X(o=-0.032,f=-0.22) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.622 K(o=-0.62,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.658 K(o=-0.66,f=0) USER MOD Single : A 19 ASN : amide:sc= -1.09 K(o=-1.1,f=-0.19) USER MOD Single : A 28 SER OG : rot 62:sc= 1.04 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.151 USER MOD Single : A 37 SER OG : rot 180:sc= 0.00368 USER MOD Single : A 38 LYS NZ :NH3+ -116:sc= 0.401! (180deg=-3.38!) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0969 USER MOD Single : A 44 SER OG : rot -79:sc= 1.2 USER MOD Single : A 45 LYS NZ :NH3+ 158:sc= 0.285 (180deg=-0.0579) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -146:sc= 0.424 (180deg=-1.69!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.43) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.424 K(o=-0.42,f=-1.5) USER MOD Single : A 88 ASN : amide:sc= -0.113! C(o=-0.11!,f=-10!) USER MOD Single : A 97 THR OG1 : rot -163:sc= -2.11 USER MOD Single : A 100 THR OG1 : rot 110:sc= -0.709 USER MOD Single : A 101 LYS NZ :NH3+ -139:sc= 1.08 (180deg=0.783) USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.205 USER MOD Single : A 110 GLN : amide:sc= -1.15 K(o=-1.2,f=-0.096) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HD1:sc= -0.406 K(o=-0.41,f=-1.5!) USER MOD Single : A 115 ASN : amide:sc= -0.422 X(o=-0.42,f=-0.24) USER MOD Single : A 117 ASN : amide:sc= -2.59! C(o=-2.6!,f=-6.4!) USER MOD Single : A 118 TYR OH : rot 23:sc= 1.22 USER MOD Single : A 119 GLN : amide:sc= -2.14 K(o=-2.1,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.936 14.093 -1.195 1.00 0.00 N ATOM 2 CA GLU A 1 3.248 14.815 -1.270 1.00 0.00 C ATOM 3 C GLU A 1 4.396 14.002 -1.911 1.00 0.00 C ATOM 4 O GLU A 1 4.136 13.128 -2.718 1.00 0.00 O ATOM 5 CB GLU A 1 3.637 15.270 0.182 1.00 0.00 C ATOM 6 CG GLU A 1 2.429 16.013 0.838 1.00 0.00 C ATOM 7 CD GLU A 1 1.774 16.921 -0.202 1.00 0.00 C ATOM 8 OE1 GLU A 1 2.287 17.997 -0.421 1.00 0.00 O ATOM 9 OE2 GLU A 1 0.796 16.395 -0.709 1.00 0.00 O ATOM 0 H1 GLU A 1 1.158 14.777 -1.285 1.00 0.00 H new ATOM 0 H2 GLU A 1 1.877 13.398 -1.967 1.00 0.00 H new ATOM 0 H3 GLU A 1 1.862 13.602 -0.281 1.00 0.00 H new ATOM 0 HA GLU A 1 3.111 15.668 -1.935 1.00 0.00 H new ATOM 0 HB2 GLU A 1 3.915 14.404 0.783 1.00 0.00 H new ATOM 0 HB3 GLU A 1 4.506 15.927 0.148 1.00 0.00 H new ATOM 0 HG2 GLU A 1 1.705 15.292 1.216 1.00 0.00 H new ATOM 0 HG3 GLU A 1 2.768 16.602 1.691 1.00 0.00 H new ATOM 18 N GLN A 2 5.622 14.302 -1.545 1.00 0.00 N ATOM 19 CA GLN A 2 6.831 13.590 -2.098 1.00 0.00 C ATOM 20 C GLN A 2 7.793 12.996 -1.030 1.00 0.00 C ATOM 21 O GLN A 2 8.229 13.740 -0.175 1.00 0.00 O ATOM 22 CB GLN A 2 7.615 14.612 -2.960 1.00 0.00 C ATOM 23 CG GLN A 2 6.689 15.332 -3.991 1.00 0.00 C ATOM 24 CD GLN A 2 7.497 16.285 -4.879 1.00 0.00 C ATOM 25 OE1 GLN A 2 8.224 17.140 -4.430 1.00 0.00 O ATOM 26 NE2 GLN A 2 7.411 16.197 -6.164 1.00 0.00 N ATOM 0 H GLN A 2 5.844 15.031 -0.867 1.00 0.00 H new ATOM 0 HA GLN A 2 6.463 12.735 -2.665 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.081 15.353 -2.311 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.419 14.100 -3.489 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.183 14.592 -4.611 1.00 0.00 H new ATOM 0 HG3 GLN A 2 5.914 15.889 -3.464 1.00 0.00 H new ATOM 0 HE21 GLN A 2 6.810 15.490 -6.588 1.00 0.00 H new ATOM 0 HE22 GLN A 2 7.944 16.834 -6.756 1.00 0.00 H new ATOM 35 N ALA A 3 8.094 11.717 -1.084 1.00 0.00 N ATOM 36 CA ALA A 3 9.040 11.131 -0.073 1.00 0.00 C ATOM 37 C ALA A 3 10.114 10.304 -0.847 1.00 0.00 C ATOM 38 O ALA A 3 9.778 9.611 -1.801 1.00 0.00 O ATOM 39 CB ALA A 3 8.243 10.229 0.886 1.00 0.00 C ATOM 0 H ALA A 3 7.731 11.060 -1.775 1.00 0.00 H new ATOM 0 HA ALA A 3 9.532 11.909 0.511 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.918 9.797 1.625 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.481 10.821 1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.765 9.429 0.320 1.00 0.00 H new ATOM 45 N ASN A 4 11.355 10.412 -0.435 1.00 0.00 N ATOM 46 CA ASN A 4 12.478 9.661 -1.093 1.00 0.00 C ATOM 47 C ASN A 4 13.231 8.811 -0.047 1.00 0.00 C ATOM 48 O ASN A 4 12.850 8.813 1.103 1.00 0.00 O ATOM 49 CB ASN A 4 13.413 10.704 -1.773 1.00 0.00 C ATOM 50 CG ASN A 4 13.887 11.781 -0.802 1.00 0.00 C ATOM 51 OD1 ASN A 4 13.109 12.503 -0.214 1.00 0.00 O ATOM 52 ND2 ASN A 4 15.144 11.952 -0.587 1.00 0.00 N ATOM 0 H ASN A 4 11.645 11.001 0.346 1.00 0.00 H new ATOM 0 HA ASN A 4 12.099 8.972 -1.848 1.00 0.00 H new ATOM 0 HB2 ASN A 4 14.278 10.192 -2.194 1.00 0.00 H new ATOM 0 HB3 ASN A 4 12.886 11.174 -2.603 1.00 0.00 H new ATOM 0 HD21 ASN A 4 15.457 12.676 0.060 1.00 0.00 H new ATOM 0 HD22 ASN A 4 15.828 11.364 -1.063 1.00 0.00 H new ATOM 59 N ASP A 5 14.246 8.115 -0.494 1.00 0.00 N ATOM 60 CA ASP A 5 15.108 7.227 0.351 1.00 0.00 C ATOM 61 C ASP A 5 14.386 6.584 1.561 1.00 0.00 C ATOM 62 O ASP A 5 14.769 6.725 2.705 1.00 0.00 O ATOM 63 CB ASP A 5 16.396 8.085 0.764 1.00 0.00 C ATOM 64 CG ASP A 5 16.208 9.560 1.130 1.00 0.00 C ATOM 65 OD1 ASP A 5 15.511 9.838 2.087 1.00 0.00 O ATOM 66 OD2 ASP A 5 16.811 10.335 0.400 1.00 0.00 O ATOM 0 H ASP A 5 14.529 8.129 -1.474 1.00 0.00 H new ATOM 0 HA ASP A 5 15.399 6.353 -0.232 1.00 0.00 H new ATOM 0 HB2 ASP A 5 16.864 7.590 1.615 1.00 0.00 H new ATOM 0 HB3 ASP A 5 17.105 8.037 -0.063 1.00 0.00 H new ATOM 71 N VAL A 6 13.338 5.856 1.253 1.00 0.00 N ATOM 72 CA VAL A 6 12.558 5.192 2.352 1.00 0.00 C ATOM 73 C VAL A 6 12.794 3.680 2.442 1.00 0.00 C ATOM 74 O VAL A 6 12.910 2.986 1.442 1.00 0.00 O ATOM 75 CB VAL A 6 11.030 5.414 2.140 1.00 0.00 C ATOM 76 CG1 VAL A 6 10.215 5.046 3.412 1.00 0.00 C ATOM 77 CG2 VAL A 6 10.743 6.873 1.822 1.00 0.00 C ATOM 0 H VAL A 6 12.992 5.693 0.307 1.00 0.00 H new ATOM 0 HA VAL A 6 12.909 5.651 3.276 1.00 0.00 H new ATOM 0 HB VAL A 6 10.733 4.769 1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.154 5.214 3.226 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.379 3.997 3.658 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.540 5.669 4.245 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.671 7.010 1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.080 7.499 2.648 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.271 7.158 0.912 1.00 0.00 H new ATOM 87 N ARG A 7 12.840 3.234 3.669 1.00 0.00 N ATOM 88 CA ARG A 7 13.050 1.791 3.967 1.00 0.00 C ATOM 89 C ARG A 7 11.580 1.328 3.842 1.00 0.00 C ATOM 90 O ARG A 7 10.812 1.424 4.784 1.00 0.00 O ATOM 91 CB ARG A 7 13.630 1.646 5.429 1.00 0.00 C ATOM 92 CG ARG A 7 14.853 2.610 5.660 1.00 0.00 C ATOM 93 CD ARG A 7 15.799 2.040 6.752 1.00 0.00 C ATOM 94 NE ARG A 7 15.065 1.955 8.072 1.00 0.00 N ATOM 95 CZ ARG A 7 15.683 1.885 9.199 1.00 0.00 C ATOM 96 NH1 ARG A 7 16.622 1.036 9.278 1.00 0.00 N ATOM 97 NH2 ARG A 7 15.349 2.639 10.172 1.00 0.00 N ATOM 0 H ARG A 7 12.738 3.825 4.494 1.00 0.00 H new ATOM 0 HA ARG A 7 13.749 1.233 3.345 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.848 1.867 6.156 1.00 0.00 H new ATOM 0 HB3 ARG A 7 13.940 0.615 5.598 1.00 0.00 H new ATOM 0 HG2 ARG A 7 15.402 2.740 4.727 1.00 0.00 H new ATOM 0 HG3 ARG A 7 14.495 3.595 5.959 1.00 0.00 H new ATOM 0 HD2 ARG A 7 16.154 1.052 6.459 1.00 0.00 H new ATOM 0 HD3 ARG A 7 16.677 2.677 6.854 1.00 0.00 H new ATOM 0 HE ARG A 7 14.045 1.953 8.069 1.00 0.00 H new ATOM 0 HH11 ARG A 7 16.852 0.453 8.473 1.00 0.00 H new ATOM 0 HH12 ARG A 7 17.147 0.936 10.147 1.00 0.00 H new ATOM 0 HH21 ARG A 7 14.585 3.306 10.062 1.00 0.00 H new ATOM 0 HH22 ARG A 7 15.846 2.575 11.061 1.00 0.00 H new ATOM 111 N ALA A 8 11.219 0.852 2.681 1.00 0.00 N ATOM 112 CA ALA A 8 9.809 0.405 2.497 1.00 0.00 C ATOM 113 C ALA A 8 9.644 -1.083 2.791 1.00 0.00 C ATOM 114 O ALA A 8 10.196 -1.938 2.117 1.00 0.00 O ATOM 115 CB ALA A 8 9.388 0.749 1.040 1.00 0.00 C ATOM 0 H ALA A 8 11.826 0.754 1.867 1.00 0.00 H new ATOM 0 HA ALA A 8 9.162 0.923 3.205 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.358 0.433 0.875 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.467 1.825 0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.043 0.231 0.340 1.00 0.00 H new ATOM 121 N THR A 9 8.869 -1.306 3.817 1.00 0.00 N ATOM 122 CA THR A 9 8.543 -2.676 4.310 1.00 0.00 C ATOM 123 C THR A 9 7.475 -2.992 3.280 1.00 0.00 C ATOM 124 O THR A 9 6.371 -2.512 3.358 1.00 0.00 O ATOM 125 CB THR A 9 7.985 -2.565 5.764 1.00 0.00 C ATOM 126 OG1 THR A 9 7.311 -1.312 5.860 1.00 0.00 O ATOM 127 CG2 THR A 9 9.127 -2.386 6.752 1.00 0.00 C ATOM 0 H THR A 9 8.429 -0.561 4.357 1.00 0.00 H new ATOM 0 HA THR A 9 9.341 -3.415 4.384 1.00 0.00 H new ATOM 0 HB THR A 9 7.379 -3.447 5.968 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.660 -1.234 5.132 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.725 -2.310 7.762 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.798 -3.243 6.692 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.678 -1.477 6.511 1.00 0.00 H new ATOM 135 N TYR A 10 7.885 -3.817 2.366 1.00 0.00 N ATOM 136 CA TYR A 10 7.062 -4.276 1.216 1.00 0.00 C ATOM 137 C TYR A 10 6.024 -5.398 1.440 1.00 0.00 C ATOM 138 O TYR A 10 6.268 -6.588 1.330 1.00 0.00 O ATOM 139 CB TYR A 10 8.113 -4.676 0.094 1.00 0.00 C ATOM 140 CG TYR A 10 8.690 -6.099 0.312 1.00 0.00 C ATOM 141 CD1 TYR A 10 9.457 -6.438 1.415 1.00 0.00 C ATOM 142 CD2 TYR A 10 8.401 -7.085 -0.614 1.00 0.00 C ATOM 143 CE1 TYR A 10 9.913 -7.733 1.583 1.00 0.00 C ATOM 144 CE2 TYR A 10 8.861 -8.375 -0.437 1.00 0.00 C ATOM 145 CZ TYR A 10 9.616 -8.706 0.661 1.00 0.00 C ATOM 146 OH TYR A 10 10.031 -10.009 0.838 1.00 0.00 O ATOM 0 H TYR A 10 8.823 -4.219 2.372 1.00 0.00 H new ATOM 0 HA TYR A 10 6.395 -3.454 0.955 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.634 -4.626 -0.884 1.00 0.00 H new ATOM 0 HB3 TYR A 10 8.928 -3.952 0.088 1.00 0.00 H new ATOM 0 HD1 TYR A 10 9.701 -5.685 2.150 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.809 -6.843 -1.485 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.509 -7.981 2.449 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.624 -9.132 -1.170 1.00 0.00 H new ATOM 0 HH TYR A 10 10.929 -10.016 1.230 1.00 0.00 H new ATOM 156 N HIS A 11 4.848 -4.940 1.775 1.00 0.00 N ATOM 157 CA HIS A 11 3.739 -5.906 2.002 1.00 0.00 C ATOM 158 C HIS A 11 2.845 -5.384 0.868 1.00 0.00 C ATOM 159 O HIS A 11 2.256 -4.304 0.906 1.00 0.00 O ATOM 160 CB HIS A 11 3.031 -5.746 3.342 1.00 0.00 C ATOM 161 CG HIS A 11 2.312 -7.065 3.626 1.00 0.00 C ATOM 162 ND1 HIS A 11 2.884 -8.159 4.001 1.00 0.00 N ATOM 163 CD2 HIS A 11 0.968 -7.389 3.550 1.00 0.00 C ATOM 164 CE1 HIS A 11 1.991 -9.088 4.150 1.00 0.00 C ATOM 165 NE2 HIS A 11 0.786 -8.651 3.881 1.00 0.00 N ATOM 0 H HIS A 11 4.611 -3.956 1.899 1.00 0.00 H new ATOM 0 HA HIS A 11 4.029 -6.957 2.013 1.00 0.00 H new ATOM 0 HB2 HIS A 11 3.747 -5.519 4.132 1.00 0.00 H new ATOM 0 HB3 HIS A 11 2.321 -4.919 3.307 1.00 0.00 H new ATOM 0 HD2 HIS A 11 0.183 -6.706 3.261 1.00 0.00 H new ATOM 0 HE1 HIS A 11 2.214 -10.099 4.458 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -0.092 -9.169 3.919 1.00 0.00 H new ATOM 173 N TYR A 12 2.892 -6.294 -0.062 1.00 0.00 N ATOM 174 CA TYR A 12 2.221 -6.269 -1.358 1.00 0.00 C ATOM 175 C TYR A 12 0.976 -7.158 -1.330 1.00 0.00 C ATOM 176 O TYR A 12 1.065 -8.358 -1.505 1.00 0.00 O ATOM 177 CB TYR A 12 3.273 -6.754 -2.424 1.00 0.00 C ATOM 178 CG TYR A 12 3.970 -8.064 -2.098 1.00 0.00 C ATOM 179 CD1 TYR A 12 4.967 -8.126 -1.158 1.00 0.00 C ATOM 180 CD2 TYR A 12 3.588 -9.212 -2.766 1.00 0.00 C ATOM 181 CE1 TYR A 12 5.577 -9.328 -0.887 1.00 0.00 C ATOM 182 CE2 TYR A 12 4.200 -10.409 -2.496 1.00 0.00 C ATOM 183 CZ TYR A 12 5.194 -10.466 -1.555 1.00 0.00 C ATOM 184 OH TYR A 12 5.799 -11.668 -1.281 1.00 0.00 O ATOM 0 H TYR A 12 3.440 -7.145 0.063 1.00 0.00 H new ATOM 0 HA TYR A 12 1.874 -5.267 -1.611 1.00 0.00 H new ATOM 0 HB2 TYR A 12 2.770 -6.858 -3.385 1.00 0.00 H new ATOM 0 HB3 TYR A 12 4.030 -5.978 -2.543 1.00 0.00 H new ATOM 0 HD1 TYR A 12 5.272 -7.233 -0.632 1.00 0.00 H new ATOM 0 HD2 TYR A 12 2.802 -9.166 -3.506 1.00 0.00 H new ATOM 0 HE1 TYR A 12 6.361 -9.378 -0.146 1.00 0.00 H new ATOM 0 HE2 TYR A 12 3.900 -11.303 -3.023 1.00 0.00 H new ATOM 0 HH TYR A 12 5.114 -12.350 -1.120 1.00 0.00 H new ATOM 194 N TYR A 13 -0.162 -6.564 -1.091 1.00 0.00 N ATOM 195 CA TYR A 13 -1.395 -7.417 -1.071 1.00 0.00 C ATOM 196 C TYR A 13 -1.614 -7.853 -2.545 1.00 0.00 C ATOM 197 O TYR A 13 -1.182 -7.179 -3.470 1.00 0.00 O ATOM 198 CB TYR A 13 -2.654 -6.624 -0.572 1.00 0.00 C ATOM 199 CG TYR A 13 -3.549 -7.555 0.260 1.00 0.00 C ATOM 200 CD1 TYR A 13 -3.031 -8.151 1.390 1.00 0.00 C ATOM 201 CD2 TYR A 13 -4.868 -7.810 -0.085 1.00 0.00 C ATOM 202 CE1 TYR A 13 -3.810 -8.985 2.160 1.00 0.00 C ATOM 203 CE2 TYR A 13 -5.650 -8.647 0.691 1.00 0.00 C ATOM 204 CZ TYR A 13 -5.116 -9.235 1.816 1.00 0.00 C ATOM 205 OH TYR A 13 -5.879 -10.062 2.605 1.00 0.00 O ATOM 0 H TYR A 13 -0.296 -5.568 -0.915 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.267 -8.257 -0.388 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.344 -5.768 0.028 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.211 -6.232 -1.423 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.006 -7.962 1.673 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.289 -7.351 -0.968 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.391 -9.446 3.042 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.676 -8.839 0.415 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.780 -10.136 2.226 1.00 0.00 H new ATOM 215 N ARG A 14 -2.299 -8.974 -2.626 1.00 0.00 N ATOM 216 CA ARG A 14 -2.695 -9.722 -3.881 1.00 0.00 C ATOM 217 C ARG A 14 -4.138 -9.543 -4.542 1.00 0.00 C ATOM 218 O ARG A 14 -4.970 -10.424 -4.401 1.00 0.00 O ATOM 219 CB ARG A 14 -2.517 -11.251 -3.598 1.00 0.00 C ATOM 220 CG ARG A 14 -1.216 -11.710 -2.857 1.00 0.00 C ATOM 221 CD ARG A 14 -1.326 -13.274 -2.621 1.00 0.00 C ATOM 222 NE ARG A 14 -0.140 -13.773 -1.819 1.00 0.00 N ATOM 223 CZ ARG A 14 -0.309 -14.410 -0.713 1.00 0.00 C ATOM 224 NH1 ARG A 14 -0.436 -13.673 0.306 1.00 0.00 N ATOM 225 NH2 ARG A 14 -0.341 -15.687 -0.679 1.00 0.00 N ATOM 0 H ARG A 14 -2.632 -9.447 -1.786 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.040 -9.262 -4.621 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -3.372 -11.585 -3.011 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.562 -11.776 -4.552 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.333 -11.473 -3.451 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.111 -11.186 -1.907 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.252 -13.504 -2.094 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.368 -13.791 -3.580 1.00 0.00 H new ATOM 0 HE ARG A 14 0.806 -13.602 -2.161 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.400 -12.658 0.209 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.574 -14.093 1.225 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.231 -16.223 -1.540 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.476 -16.170 0.209 1.00 0.00 H new ATOM 239 N PRO A 15 -4.396 -8.466 -5.253 1.00 0.00 N ATOM 240 CA PRO A 15 -5.752 -8.195 -5.855 1.00 0.00 C ATOM 241 C PRO A 15 -6.273 -9.437 -6.633 1.00 0.00 C ATOM 242 O PRO A 15 -7.454 -9.752 -6.681 1.00 0.00 O ATOM 243 CB PRO A 15 -5.473 -6.934 -6.678 1.00 0.00 C ATOM 244 CG PRO A 15 -3.952 -7.025 -6.982 1.00 0.00 C ATOM 245 CD PRO A 15 -3.404 -7.403 -5.614 1.00 0.00 C ATOM 0 HA PRO A 15 -6.570 -8.025 -5.155 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.064 -6.914 -7.593 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.717 -6.029 -6.121 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.727 -7.777 -7.738 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.546 -6.080 -7.342 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.382 -7.778 -5.658 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.407 -6.568 -4.913 1.00 0.00 H new ATOM 253 N ALA A 16 -5.321 -10.105 -7.233 1.00 0.00 N ATOM 254 CA ALA A 16 -5.611 -11.342 -8.020 1.00 0.00 C ATOM 255 C ALA A 16 -6.519 -12.278 -7.179 1.00 0.00 C ATOM 256 O ALA A 16 -7.521 -12.771 -7.657 1.00 0.00 O ATOM 257 CB ALA A 16 -4.264 -12.000 -8.337 1.00 0.00 C ATOM 0 H ALA A 16 -4.336 -9.840 -7.210 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.137 -11.121 -8.949 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.430 -12.910 -8.913 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.650 -11.311 -8.917 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.752 -12.248 -7.407 1.00 0.00 H new ATOM 263 N GLN A 17 -6.116 -12.463 -5.948 1.00 0.00 N ATOM 264 CA GLN A 17 -6.837 -13.330 -4.965 1.00 0.00 C ATOM 265 C GLN A 17 -8.357 -13.450 -5.159 1.00 0.00 C ATOM 266 O GLN A 17 -8.878 -14.543 -5.135 1.00 0.00 O ATOM 267 CB GLN A 17 -6.463 -12.773 -3.566 1.00 0.00 C ATOM 268 CG GLN A 17 -7.239 -13.548 -2.462 1.00 0.00 C ATOM 269 CD GLN A 17 -6.717 -13.251 -1.059 1.00 0.00 C ATOM 270 OE1 GLN A 17 -7.331 -13.608 -0.086 1.00 0.00 O ATOM 271 NE2 GLN A 17 -5.608 -12.624 -0.841 1.00 0.00 N ATOM 0 H GLN A 17 -5.276 -12.027 -5.567 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.518 -14.363 -5.107 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.389 -12.868 -3.403 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.701 -11.711 -3.512 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.296 -13.287 -2.515 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.165 -14.618 -2.654 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.044 -12.297 -1.626 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.297 -12.456 0.116 1.00 0.00 H new ATOM 280 N ASN A 18 -9.032 -12.350 -5.341 1.00 0.00 N ATOM 281 CA ASN A 18 -10.515 -12.403 -5.534 1.00 0.00 C ATOM 282 C ASN A 18 -10.896 -11.632 -6.817 1.00 0.00 C ATOM 283 O ASN A 18 -11.849 -10.886 -6.839 1.00 0.00 O ATOM 284 CB ASN A 18 -11.065 -11.795 -4.249 1.00 0.00 C ATOM 285 CG ASN A 18 -12.522 -12.166 -3.979 1.00 0.00 C ATOM 286 OD1 ASN A 18 -12.990 -12.126 -2.863 1.00 0.00 O ATOM 287 ND2 ASN A 18 -13.303 -12.543 -4.938 1.00 0.00 N ATOM 0 H ASN A 18 -8.625 -11.415 -5.365 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.925 -13.401 -5.685 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -10.452 -12.123 -3.409 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.978 -10.710 -4.303 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -14.272 -12.792 -4.739 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.950 -12.591 -5.894 1.00 0.00 H new ATOM 294 N ASN A 19 -10.135 -11.835 -7.859 1.00 0.00 N ATOM 295 CA ASN A 19 -10.373 -11.147 -9.172 1.00 0.00 C ATOM 296 C ASN A 19 -10.687 -9.628 -8.944 1.00 0.00 C ATOM 297 O ASN A 19 -11.587 -9.035 -9.525 1.00 0.00 O ATOM 298 CB ASN A 19 -11.563 -11.881 -9.899 1.00 0.00 C ATOM 299 CG ASN A 19 -11.778 -11.347 -11.325 1.00 0.00 C ATOM 300 OD1 ASN A 19 -12.776 -11.561 -11.975 1.00 0.00 O ATOM 301 ND2 ASN A 19 -10.878 -10.631 -11.912 1.00 0.00 N ATOM 0 H ASN A 19 -9.334 -12.467 -7.859 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.481 -11.197 -9.797 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -11.360 -12.951 -9.938 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -12.478 -11.751 -9.321 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.037 -10.289 -12.860 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.008 -10.408 -11.428 1.00 0.00 H new ATOM 308 N TRP A 20 -9.886 -9.050 -8.073 1.00 0.00 N ATOM 309 CA TRP A 20 -9.991 -7.596 -7.695 1.00 0.00 C ATOM 310 C TRP A 20 -11.457 -7.207 -7.399 1.00 0.00 C ATOM 311 O TRP A 20 -11.779 -6.037 -7.411 1.00 0.00 O ATOM 312 CB TRP A 20 -9.385 -6.687 -8.905 1.00 0.00 C ATOM 313 CG TRP A 20 -7.897 -6.932 -9.297 1.00 0.00 C ATOM 314 CD1 TRP A 20 -7.442 -8.178 -9.295 1.00 0.00 C ATOM 315 CD2 TRP A 20 -6.903 -6.114 -9.766 1.00 0.00 C ATOM 316 NE1 TRP A 20 -6.213 -8.107 -9.774 1.00 0.00 N ATOM 317 CE2 TRP A 20 -5.806 -6.898 -10.080 1.00 0.00 C ATOM 318 CE3 TRP A 20 -6.772 -4.753 -9.957 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -4.656 -6.353 -10.572 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -5.612 -4.196 -10.451 1.00 0.00 C ATOM 321 CH2 TRP A 20 -4.549 -5.002 -10.766 1.00 0.00 C ATOM 0 H TRP A 20 -9.136 -9.545 -7.591 1.00 0.00 H new ATOM 0 HA TRP A 20 -9.416 -7.419 -6.786 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -10.000 -6.849 -9.791 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -9.494 -5.638 -8.628 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -7.966 -9.064 -8.970 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -5.624 -8.931 -9.897 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -7.602 -4.106 -9.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -3.821 -6.995 -10.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -5.541 -3.127 -10.590 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.639 -4.577 -11.162 1.00 0.00 H new ATOM 332 N ASP A 21 -12.315 -8.163 -7.122 1.00 0.00 N ATOM 333 CA ASP A 21 -13.736 -7.826 -6.829 1.00 0.00 C ATOM 334 C ASP A 21 -13.772 -7.534 -5.322 1.00 0.00 C ATOM 335 O ASP A 21 -14.524 -8.059 -4.530 1.00 0.00 O ATOM 336 CB ASP A 21 -14.646 -9.042 -7.202 1.00 0.00 C ATOM 337 CG ASP A 21 -16.143 -8.698 -6.994 1.00 0.00 C ATOM 338 OD1 ASP A 21 -16.433 -7.507 -6.933 1.00 0.00 O ATOM 339 OD2 ASP A 21 -16.897 -9.660 -6.919 1.00 0.00 O ATOM 0 H ASP A 21 -12.088 -9.157 -7.088 1.00 0.00 H new ATOM 0 HA ASP A 21 -14.101 -6.973 -7.401 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.475 -9.324 -8.241 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.378 -9.903 -6.589 1.00 0.00 H new ATOM 344 N LEU A 22 -12.884 -6.641 -4.990 1.00 0.00 N ATOM 345 CA LEU A 22 -12.675 -6.150 -3.629 1.00 0.00 C ATOM 346 C LEU A 22 -13.994 -5.919 -2.871 1.00 0.00 C ATOM 347 O LEU A 22 -14.019 -5.963 -1.657 1.00 0.00 O ATOM 348 CB LEU A 22 -11.877 -4.910 -3.799 1.00 0.00 C ATOM 349 CG LEU A 22 -10.466 -5.146 -4.471 1.00 0.00 C ATOM 350 CD1 LEU A 22 -9.996 -3.695 -4.522 1.00 0.00 C ATOM 351 CD2 LEU A 22 -9.572 -5.887 -3.490 1.00 0.00 C ATOM 0 H LEU A 22 -12.258 -6.211 -5.671 1.00 0.00 H new ATOM 0 HA LEU A 22 -12.155 -6.880 -3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.444 -4.204 -4.406 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -11.731 -4.446 -2.823 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.469 -5.700 -5.409 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.004 -3.650 -4.971 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.692 -3.108 -5.121 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.956 -3.290 -3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.595 -6.055 -3.944 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.454 -5.292 -2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.025 -6.846 -3.238 1.00 0.00 H new ATOM 363 N GLY A 23 -15.035 -5.631 -3.630 1.00 0.00 N ATOM 364 CA GLY A 23 -16.415 -5.387 -3.065 1.00 0.00 C ATOM 365 C GLY A 23 -16.752 -6.528 -2.084 1.00 0.00 C ATOM 366 O GLY A 23 -17.382 -6.350 -1.059 1.00 0.00 O ATOM 0 H GLY A 23 -14.985 -5.553 -4.646 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.450 -4.425 -2.553 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.151 -5.348 -3.868 1.00 0.00 H new ATOM 370 N ALA A 24 -16.305 -7.687 -2.498 1.00 0.00 N ATOM 371 CA ALA A 24 -16.456 -8.981 -1.780 1.00 0.00 C ATOM 372 C ALA A 24 -16.131 -8.888 -0.252 1.00 0.00 C ATOM 373 O ALA A 24 -15.024 -8.523 0.126 1.00 0.00 O ATOM 374 CB ALA A 24 -15.522 -9.988 -2.483 1.00 0.00 C ATOM 0 H ALA A 24 -15.801 -7.786 -3.379 1.00 0.00 H new ATOM 0 HA ALA A 24 -17.498 -9.296 -1.823 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.596 -10.958 -1.991 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.815 -10.088 -3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.494 -9.631 -2.427 1.00 0.00 H new ATOM 380 N PRO A 25 -17.087 -9.215 0.602 1.00 0.00 N ATOM 381 CA PRO A 25 -16.957 -9.043 2.093 1.00 0.00 C ATOM 382 C PRO A 25 -15.517 -9.270 2.618 1.00 0.00 C ATOM 383 O PRO A 25 -14.883 -8.389 3.151 1.00 0.00 O ATOM 384 CB PRO A 25 -17.986 -10.063 2.690 1.00 0.00 C ATOM 385 CG PRO A 25 -18.662 -10.744 1.465 1.00 0.00 C ATOM 386 CD PRO A 25 -18.418 -9.804 0.276 1.00 0.00 C ATOM 0 HA PRO A 25 -17.167 -8.017 2.397 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -17.487 -10.799 3.321 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -18.723 -9.556 3.313 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -18.233 -11.729 1.279 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.729 -10.888 1.637 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -18.403 -10.343 -0.671 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -19.192 -9.040 0.196 1.00 0.00 H new ATOM 394 N ALA A 26 -15.078 -10.486 2.435 1.00 0.00 N ATOM 395 CA ALA A 26 -13.715 -10.993 2.842 1.00 0.00 C ATOM 396 C ALA A 26 -12.536 -9.999 2.745 1.00 0.00 C ATOM 397 O ALA A 26 -11.569 -10.055 3.482 1.00 0.00 O ATOM 398 CB ALA A 26 -13.453 -12.249 1.971 1.00 0.00 C ATOM 0 H ALA A 26 -15.647 -11.205 1.988 1.00 0.00 H new ATOM 0 HA ALA A 26 -13.750 -11.195 3.912 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.477 -12.666 2.218 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -14.225 -12.994 2.164 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.473 -11.971 0.917 1.00 0.00 H new ATOM 404 N VAL A 27 -12.710 -9.130 1.795 1.00 0.00 N ATOM 405 CA VAL A 27 -11.710 -8.064 1.473 1.00 0.00 C ATOM 406 C VAL A 27 -12.142 -6.653 1.880 1.00 0.00 C ATOM 407 O VAL A 27 -11.486 -5.910 2.581 1.00 0.00 O ATOM 408 CB VAL A 27 -11.470 -8.040 -0.040 1.00 0.00 C ATOM 409 CG1 VAL A 27 -10.220 -7.218 -0.310 1.00 0.00 C ATOM 410 CG2 VAL A 27 -11.325 -9.458 -0.671 1.00 0.00 C ATOM 0 H VAL A 27 -13.538 -9.110 1.200 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.816 -8.318 2.043 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.348 -7.595 -0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.029 -7.187 -1.383 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.364 -6.204 0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -9.369 -7.673 0.197 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.157 -9.363 -1.744 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.480 -9.974 -0.216 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.236 -10.029 -0.495 1.00 0.00 H new ATOM 420 N SER A 28 -13.286 -6.380 1.341 1.00 0.00 N ATOM 421 CA SER A 28 -14.018 -5.098 1.503 1.00 0.00 C ATOM 422 C SER A 28 -13.154 -3.832 1.716 1.00 0.00 C ATOM 423 O SER A 28 -13.073 -3.295 2.801 1.00 0.00 O ATOM 424 CB SER A 28 -15.024 -5.270 2.678 1.00 0.00 C ATOM 425 OG SER A 28 -14.252 -5.303 3.876 1.00 0.00 O ATOM 0 H SER A 28 -13.781 -7.046 0.749 1.00 0.00 H new ATOM 0 HA SER A 28 -14.511 -4.909 0.549 1.00 0.00 H new ATOM 0 HB2 SER A 28 -15.738 -4.447 2.700 1.00 0.00 H new ATOM 0 HB3 SER A 28 -15.600 -6.188 2.563 1.00 0.00 H new ATOM 0 HG SER A 28 -13.770 -4.456 3.978 1.00 0.00 H new ATOM 431 N ALA A 29 -12.539 -3.395 0.652 1.00 0.00 N ATOM 432 CA ALA A 29 -11.650 -2.171 0.680 1.00 0.00 C ATOM 433 C ALA A 29 -12.343 -0.780 0.399 1.00 0.00 C ATOM 434 O ALA A 29 -13.393 -0.725 -0.210 1.00 0.00 O ATOM 435 CB ALA A 29 -10.555 -2.504 -0.346 1.00 0.00 C ATOM 0 H ALA A 29 -12.610 -3.838 -0.264 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.282 -2.001 1.692 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.849 -1.676 -0.407 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.029 -3.407 -0.037 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.009 -2.666 -1.324 1.00 0.00 H new ATOM 441 N TYR A 30 -11.737 0.313 0.832 1.00 0.00 N ATOM 442 CA TYR A 30 -12.286 1.709 0.645 1.00 0.00 C ATOM 443 C TYR A 30 -13.103 2.001 -0.611 1.00 0.00 C ATOM 444 O TYR A 30 -14.266 2.331 -0.541 1.00 0.00 O ATOM 445 CB TYR A 30 -11.098 2.740 0.706 1.00 0.00 C ATOM 446 CG TYR A 30 -11.335 3.727 1.859 1.00 0.00 C ATOM 447 CD1 TYR A 30 -12.536 4.410 1.924 1.00 0.00 C ATOM 448 CD2 TYR A 30 -10.377 3.967 2.822 1.00 0.00 C ATOM 449 CE1 TYR A 30 -12.786 5.314 2.932 1.00 0.00 C ATOM 450 CE2 TYR A 30 -10.628 4.877 3.834 1.00 0.00 C ATOM 451 CZ TYR A 30 -11.829 5.551 3.888 1.00 0.00 C ATOM 452 OH TYR A 30 -12.073 6.451 4.901 1.00 0.00 O ATOM 0 H TYR A 30 -10.846 0.292 1.328 1.00 0.00 H new ATOM 0 HA TYR A 30 -13.004 1.804 1.459 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.154 2.215 0.851 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.021 3.279 -0.238 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -13.290 4.231 1.172 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -9.432 3.445 2.786 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -13.731 5.835 2.971 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -9.877 5.061 4.588 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.292 6.498 5.492 1.00 0.00 H new ATOM 462 N CYS A 31 -12.455 1.863 -1.731 1.00 0.00 N ATOM 463 CA CYS A 31 -13.104 2.111 -3.047 1.00 0.00 C ATOM 464 C CYS A 31 -13.684 0.784 -3.619 1.00 0.00 C ATOM 465 O CYS A 31 -14.322 0.776 -4.647 1.00 0.00 O ATOM 466 CB CYS A 31 -12.000 2.740 -3.951 1.00 0.00 C ATOM 467 SG CYS A 31 -12.463 4.029 -5.137 1.00 0.00 S ATOM 0 H CYS A 31 -11.477 1.581 -1.791 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.954 2.789 -2.978 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.235 3.156 -3.295 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -11.533 1.930 -4.511 1.00 0.00 H new ATOM 472 N ALA A 32 -13.472 -0.324 -2.942 1.00 0.00 N ATOM 473 CA ALA A 32 -13.988 -1.676 -3.399 1.00 0.00 C ATOM 474 C ALA A 32 -15.415 -1.559 -3.953 1.00 0.00 C ATOM 475 O ALA A 32 -15.714 -1.899 -5.079 1.00 0.00 O ATOM 476 CB ALA A 32 -13.981 -2.621 -2.207 1.00 0.00 C ATOM 0 H ALA A 32 -12.949 -0.356 -2.067 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.346 -2.056 -4.194 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.349 -3.599 -2.516 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -12.964 -2.719 -1.827 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.625 -2.222 -1.423 1.00 0.00 H new ATOM 482 N THR A 33 -16.202 -1.057 -3.042 1.00 0.00 N ATOM 483 CA THR A 33 -17.666 -0.759 -3.139 1.00 0.00 C ATOM 484 C THR A 33 -18.079 0.019 -4.390 1.00 0.00 C ATOM 485 O THR A 33 -19.188 -0.102 -4.876 1.00 0.00 O ATOM 486 CB THR A 33 -18.046 0.049 -1.902 1.00 0.00 C ATOM 487 OG1 THR A 33 -17.401 -0.639 -0.841 1.00 0.00 O ATOM 488 CG2 THR A 33 -19.497 -0.143 -1.520 1.00 0.00 C ATOM 0 H THR A 33 -15.837 -0.813 -2.121 1.00 0.00 H new ATOM 0 HA THR A 33 -18.188 -1.714 -3.205 1.00 0.00 H new ATOM 0 HB THR A 33 -17.811 1.099 -2.076 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.590 -0.184 0.006 1.00 0.00 H new ATOM 0 HG21 THR A 33 -19.722 0.451 -0.634 1.00 0.00 H new ATOM 0 HG22 THR A 33 -20.135 0.177 -2.343 1.00 0.00 H new ATOM 0 HG23 THR A 33 -19.681 -1.196 -1.307 1.00 0.00 H new ATOM 496 N TRP A 34 -17.136 0.797 -4.845 1.00 0.00 N ATOM 497 CA TRP A 34 -17.306 1.663 -6.049 1.00 0.00 C ATOM 498 C TRP A 34 -16.402 1.324 -7.268 1.00 0.00 C ATOM 499 O TRP A 34 -16.714 1.744 -8.366 1.00 0.00 O ATOM 500 CB TRP A 34 -17.108 3.100 -5.469 1.00 0.00 C ATOM 501 CG TRP A 34 -18.293 3.406 -4.520 1.00 0.00 C ATOM 502 CD1 TRP A 34 -19.616 3.289 -4.842 1.00 0.00 C ATOM 503 CD2 TRP A 34 -18.191 3.823 -3.239 1.00 0.00 C ATOM 504 NE1 TRP A 34 -20.224 3.644 -3.722 1.00 0.00 N ATOM 505 CE2 TRP A 34 -19.450 3.983 -2.701 1.00 0.00 C ATOM 506 CE3 TRP A 34 -17.071 4.088 -2.477 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -19.589 4.405 -1.394 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -17.205 4.514 -1.160 1.00 0.00 C ATOM 509 CH2 TRP A 34 -18.471 4.670 -0.621 1.00 0.00 C ATOM 0 H TRP A 34 -16.215 0.871 -4.413 1.00 0.00 H new ATOM 0 HA TRP A 34 -18.280 1.519 -6.516 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -16.163 3.166 -4.930 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -17.067 3.833 -6.275 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -20.056 2.982 -5.779 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -21.241 3.656 -3.648 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -16.087 3.964 -2.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -20.575 4.529 -0.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -16.329 4.721 -0.563 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -18.586 4.998 0.401 1.00 0.00 H new ATOM 520 N ASP A 35 -15.333 0.592 -7.074 1.00 0.00 N ATOM 521 CA ASP A 35 -14.363 0.177 -8.151 1.00 0.00 C ATOM 522 C ASP A 35 -14.437 -1.272 -8.592 1.00 0.00 C ATOM 523 O ASP A 35 -14.275 -1.578 -9.761 1.00 0.00 O ATOM 524 CB ASP A 35 -12.928 0.474 -7.660 1.00 0.00 C ATOM 525 CG ASP A 35 -12.503 1.889 -8.015 1.00 0.00 C ATOM 526 OD1 ASP A 35 -13.366 2.637 -8.467 1.00 0.00 O ATOM 527 OD2 ASP A 35 -11.326 2.089 -7.804 1.00 0.00 O ATOM 0 H ASP A 35 -15.074 0.241 -6.152 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.643 0.756 -9.031 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.876 0.337 -6.580 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.234 -0.239 -8.106 1.00 0.00 H new ATOM 532 N ALA A 36 -14.677 -2.137 -7.641 1.00 0.00 N ATOM 533 CA ALA A 36 -14.785 -3.592 -7.936 1.00 0.00 C ATOM 534 C ALA A 36 -15.946 -3.751 -8.943 1.00 0.00 C ATOM 535 O ALA A 36 -16.032 -4.723 -9.667 1.00 0.00 O ATOM 536 CB ALA A 36 -15.057 -4.299 -6.597 1.00 0.00 C ATOM 0 H ALA A 36 -14.804 -1.891 -6.659 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.887 -4.028 -8.374 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.144 -5.373 -6.764 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -14.234 -4.104 -5.909 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.985 -3.922 -6.168 1.00 0.00 H new ATOM 542 N SER A 37 -16.786 -2.739 -8.944 1.00 0.00 N ATOM 543 CA SER A 37 -17.985 -2.678 -9.831 1.00 0.00 C ATOM 544 C SER A 37 -17.651 -2.051 -11.189 1.00 0.00 C ATOM 545 O SER A 37 -18.531 -1.751 -11.975 1.00 0.00 O ATOM 546 CB SER A 37 -19.059 -1.850 -9.118 1.00 0.00 C ATOM 547 OG SER A 37 -18.447 -0.565 -9.056 1.00 0.00 O ATOM 0 H SER A 37 -16.680 -1.924 -8.340 1.00 0.00 H new ATOM 0 HA SER A 37 -18.342 -3.690 -10.024 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.996 -1.830 -9.675 1.00 0.00 H new ATOM 0 HB3 SER A 37 -19.286 -2.242 -8.127 1.00 0.00 H new ATOM 0 HG SER A 37 -19.053 0.065 -8.612 1.00 0.00 H new ATOM 553 N LYS A 38 -16.386 -1.823 -11.440 1.00 0.00 N ATOM 554 CA LYS A 38 -15.963 -1.231 -12.748 1.00 0.00 C ATOM 555 C LYS A 38 -15.717 -2.436 -13.667 1.00 0.00 C ATOM 556 O LYS A 38 -15.271 -3.476 -13.195 1.00 0.00 O ATOM 557 CB LYS A 38 -14.661 -0.437 -12.588 1.00 0.00 C ATOM 558 CG LYS A 38 -14.812 0.706 -11.581 1.00 0.00 C ATOM 559 CD LYS A 38 -15.332 1.983 -12.259 1.00 0.00 C ATOM 560 CE LYS A 38 -14.937 3.195 -11.398 1.00 0.00 C ATOM 561 NZ LYS A 38 -15.611 3.098 -10.076 1.00 0.00 N ATOM 0 H LYS A 38 -15.624 -2.022 -10.792 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.714 -0.546 -13.141 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.865 -1.106 -12.261 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.361 -0.032 -13.555 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.498 0.407 -10.789 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.850 0.908 -11.110 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -14.911 2.077 -13.260 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -16.415 1.937 -12.372 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.855 3.225 -11.266 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.223 4.120 -11.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.271 3.894 -9.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -16.136 2.202 -10.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.898 3.131 -9.320 1.00 0.00 H new ATOM 575 N PRO A 39 -15.970 -2.309 -14.940 1.00 0.00 N ATOM 576 CA PRO A 39 -15.695 -3.435 -15.861 1.00 0.00 C ATOM 577 C PRO A 39 -14.209 -3.850 -15.778 1.00 0.00 C ATOM 578 O PRO A 39 -13.323 -3.094 -15.412 1.00 0.00 O ATOM 579 CB PRO A 39 -16.162 -2.882 -17.218 1.00 0.00 C ATOM 580 CG PRO A 39 -15.931 -1.358 -17.043 1.00 0.00 C ATOM 581 CD PRO A 39 -16.508 -1.114 -15.640 1.00 0.00 C ATOM 0 HA PRO A 39 -16.212 -4.367 -15.635 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -15.582 -3.290 -18.046 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.208 -3.116 -17.416 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.875 -1.095 -17.103 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -16.448 -0.775 -17.805 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -16.159 -0.179 -15.201 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.598 -1.081 -15.635 1.00 0.00 H new ATOM 589 N LEU A 40 -13.991 -5.087 -16.120 1.00 0.00 N ATOM 590 CA LEU A 40 -12.637 -5.675 -16.108 1.00 0.00 C ATOM 591 C LEU A 40 -11.557 -4.759 -16.684 1.00 0.00 C ATOM 592 O LEU A 40 -10.453 -4.716 -16.179 1.00 0.00 O ATOM 593 CB LEU A 40 -12.821 -7.004 -16.854 1.00 0.00 C ATOM 594 CG LEU A 40 -13.405 -8.058 -15.874 1.00 0.00 C ATOM 595 CD1 LEU A 40 -13.926 -9.264 -16.675 1.00 0.00 C ATOM 596 CD2 LEU A 40 -12.262 -8.563 -14.973 1.00 0.00 C ATOM 0 H LEU A 40 -14.725 -5.731 -16.416 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.254 -5.828 -15.099 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -13.490 -6.869 -17.704 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.866 -7.348 -17.251 1.00 0.00 H new ATOM 0 HG LEU A 40 -14.209 -7.611 -15.289 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -14.337 -10.006 -15.990 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -14.705 -8.935 -17.363 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.106 -9.707 -17.240 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.650 -9.305 -14.275 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.485 -9.015 -15.590 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.841 -7.726 -14.415 1.00 0.00 H new ATOM 608 N SER A 41 -11.922 -4.059 -17.720 1.00 0.00 N ATOM 609 CA SER A 41 -11.033 -3.112 -18.436 1.00 0.00 C ATOM 610 C SER A 41 -10.173 -2.236 -17.501 1.00 0.00 C ATOM 611 O SER A 41 -9.011 -2.486 -17.250 1.00 0.00 O ATOM 612 CB SER A 41 -11.982 -2.286 -19.321 1.00 0.00 C ATOM 613 OG SER A 41 -12.800 -3.262 -19.959 1.00 0.00 O ATOM 0 H SER A 41 -12.859 -4.113 -18.119 1.00 0.00 H new ATOM 0 HA SER A 41 -10.282 -3.643 -19.021 1.00 0.00 H new ATOM 0 HB2 SER A 41 -12.578 -1.593 -18.728 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.431 -1.690 -20.049 1.00 0.00 H new ATOM 0 HG SER A 41 -13.443 -2.815 -20.548 1.00 0.00 H new ATOM 619 N TRP A 42 -10.792 -1.226 -16.970 1.00 0.00 N ATOM 620 CA TRP A 42 -10.038 -0.309 -16.057 1.00 0.00 C ATOM 621 C TRP A 42 -9.582 -0.978 -14.748 1.00 0.00 C ATOM 622 O TRP A 42 -8.444 -0.781 -14.357 1.00 0.00 O ATOM 623 CB TRP A 42 -10.958 0.893 -15.809 1.00 0.00 C ATOM 624 CG TRP A 42 -10.281 2.003 -14.996 1.00 0.00 C ATOM 625 CD1 TRP A 42 -9.535 3.021 -15.510 1.00 0.00 C ATOM 626 CD2 TRP A 42 -10.355 2.143 -13.655 1.00 0.00 C ATOM 627 NE1 TRP A 42 -9.209 3.717 -14.444 1.00 0.00 N ATOM 628 CE2 TRP A 42 -9.655 3.270 -13.268 1.00 0.00 C ATOM 629 CE3 TRP A 42 -10.997 1.356 -12.709 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -9.618 3.593 -11.922 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -10.949 1.687 -11.371 1.00 0.00 C ATOM 632 CH2 TRP A 42 -10.258 2.807 -10.977 1.00 0.00 C ATOM 0 H TRP A 42 -11.773 -0.991 -17.120 1.00 0.00 H new ATOM 0 HA TRP A 42 -9.102 -0.004 -16.524 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.285 1.298 -16.767 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -11.852 0.558 -15.283 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -9.275 3.210 -16.541 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.641 4.561 -14.512 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -11.539 0.476 -13.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -9.080 4.474 -11.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -11.450 1.071 -10.639 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -10.214 3.075 -9.932 1.00 0.00 H new ATOM 643 N ARG A 43 -10.449 -1.754 -14.138 1.00 0.00 N ATOM 644 CA ARG A 43 -10.070 -2.428 -12.852 1.00 0.00 C ATOM 645 C ARG A 43 -8.748 -3.239 -12.957 1.00 0.00 C ATOM 646 O ARG A 43 -7.912 -3.116 -12.086 1.00 0.00 O ATOM 647 CB ARG A 43 -11.282 -3.321 -12.428 1.00 0.00 C ATOM 648 CG ARG A 43 -10.960 -3.901 -11.034 1.00 0.00 C ATOM 649 CD ARG A 43 -12.156 -4.653 -10.452 1.00 0.00 C ATOM 650 NE ARG A 43 -12.473 -5.799 -11.363 1.00 0.00 N ATOM 651 CZ ARG A 43 -13.627 -6.354 -11.349 1.00 0.00 C ATOM 652 NH1 ARG A 43 -14.613 -5.765 -11.920 1.00 0.00 N ATOM 653 NH2 ARG A 43 -13.720 -7.484 -10.754 1.00 0.00 N ATOM 0 H ARG A 43 -11.393 -1.949 -14.470 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.863 -1.677 -12.089 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -12.200 -2.734 -12.397 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -11.440 -4.122 -13.150 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.106 -4.574 -11.107 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.673 -3.094 -10.360 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -11.927 -5.015 -9.450 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -13.016 -3.989 -10.362 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.758 -6.143 -12.005 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -14.473 -4.865 -12.378 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -15.537 -6.197 -11.916 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.897 -7.901 -10.319 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -14.617 -7.967 -10.715 1.00 0.00 H new ATOM 667 N SER A 44 -8.574 -4.042 -13.986 1.00 0.00 N ATOM 668 CA SER A 44 -7.300 -4.854 -14.148 1.00 0.00 C ATOM 669 C SER A 44 -6.258 -4.071 -15.001 1.00 0.00 C ATOM 670 O SER A 44 -5.087 -4.384 -14.955 1.00 0.00 O ATOM 671 CB SER A 44 -7.582 -6.167 -14.876 1.00 0.00 C ATOM 672 OG SER A 44 -7.903 -5.747 -16.200 1.00 0.00 O ATOM 0 H SER A 44 -9.259 -4.176 -14.729 1.00 0.00 H new ATOM 0 HA SER A 44 -6.914 -5.048 -13.147 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.715 -6.828 -14.863 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.406 -6.713 -14.416 1.00 0.00 H new ATOM 0 HG SER A 44 -8.827 -5.421 -16.225 1.00 0.00 H new ATOM 678 N LYS A 45 -6.693 -3.095 -15.766 1.00 0.00 N ATOM 679 CA LYS A 45 -5.742 -2.285 -16.622 1.00 0.00 C ATOM 680 C LYS A 45 -4.803 -1.423 -15.765 1.00 0.00 C ATOM 681 O LYS A 45 -3.605 -1.413 -15.960 1.00 0.00 O ATOM 682 CB LYS A 45 -6.544 -1.356 -17.554 1.00 0.00 C ATOM 683 CG LYS A 45 -5.601 -0.517 -18.463 1.00 0.00 C ATOM 684 CD LYS A 45 -6.281 0.851 -18.814 1.00 0.00 C ATOM 685 CE LYS A 45 -6.266 1.791 -17.601 1.00 0.00 C ATOM 686 NZ LYS A 45 -4.842 2.111 -17.270 1.00 0.00 N ATOM 0 H LYS A 45 -7.672 -2.818 -15.839 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.142 -2.987 -17.201 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.216 -1.950 -18.173 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.167 -0.689 -16.958 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.652 -0.342 -17.956 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.377 -1.067 -19.377 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.759 1.318 -19.649 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.308 0.680 -19.135 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.819 2.704 -17.822 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.757 1.320 -16.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.802 2.998 -16.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.436 1.340 -16.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.297 2.218 -18.149 1.00 0.00 H new ATOM 700 N TYR A 46 -5.367 -0.698 -14.835 1.00 0.00 N ATOM 701 CA TYR A 46 -4.522 0.175 -13.947 1.00 0.00 C ATOM 702 C TYR A 46 -4.189 -0.345 -12.566 1.00 0.00 C ATOM 703 O TYR A 46 -4.861 -0.054 -11.597 1.00 0.00 O ATOM 704 CB TYR A 46 -5.170 1.612 -13.771 1.00 0.00 C ATOM 705 CG TYR A 46 -4.220 2.727 -14.280 1.00 0.00 C ATOM 706 CD1 TYR A 46 -2.867 2.691 -13.932 1.00 0.00 C ATOM 707 CD2 TYR A 46 -4.668 3.800 -15.038 1.00 0.00 C ATOM 708 CE1 TYR A 46 -2.006 3.679 -14.329 1.00 0.00 C ATOM 709 CE2 TYR A 46 -3.784 4.798 -15.436 1.00 0.00 C ATOM 710 CZ TYR A 46 -2.451 4.726 -15.075 1.00 0.00 C ATOM 711 OH TYR A 46 -1.510 5.671 -15.403 1.00 0.00 O ATOM 0 H TYR A 46 -6.369 -0.668 -14.648 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.579 0.197 -14.493 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.112 1.657 -14.317 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.402 1.782 -12.720 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.494 1.869 -13.339 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.709 3.861 -15.320 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.965 3.627 -14.047 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.139 5.629 -16.027 1.00 0.00 H new ATOM 0 HH TYR A 46 -1.928 6.377 -15.938 1.00 0.00 H new ATOM 721 N GLY A 47 -3.129 -1.122 -12.569 1.00 0.00 N ATOM 722 CA GLY A 47 -2.576 -1.753 -11.331 1.00 0.00 C ATOM 723 C GLY A 47 -2.730 -0.750 -10.219 1.00 0.00 C ATOM 724 O GLY A 47 -2.225 0.346 -10.302 1.00 0.00 O ATOM 0 H GLY A 47 -2.607 -1.351 -13.415 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.110 -2.674 -11.096 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.528 -2.018 -11.469 1.00 0.00 H new ATOM 728 N TRP A 48 -3.428 -1.113 -9.195 1.00 0.00 N ATOM 729 CA TRP A 48 -3.670 -0.280 -8.065 1.00 0.00 C ATOM 730 C TRP A 48 -2.776 -0.771 -6.980 1.00 0.00 C ATOM 731 O TRP A 48 -1.900 -1.606 -7.077 1.00 0.00 O ATOM 732 CB TRP A 48 -5.223 -0.381 -7.738 1.00 0.00 C ATOM 733 CG TRP A 48 -5.678 -1.834 -7.550 1.00 0.00 C ATOM 734 CD1 TRP A 48 -4.795 -2.848 -7.426 1.00 0.00 C ATOM 735 CD2 TRP A 48 -6.948 -2.323 -7.482 1.00 0.00 C ATOM 736 NE1 TRP A 48 -5.567 -3.890 -7.295 1.00 0.00 N ATOM 737 CE2 TRP A 48 -6.858 -3.680 -7.309 1.00 0.00 C ATOM 738 CE3 TRP A 48 -8.217 -1.768 -7.547 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -7.961 -4.476 -7.194 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -9.354 -2.567 -7.432 1.00 0.00 C ATOM 741 CH2 TRP A 48 -9.215 -3.931 -7.253 1.00 0.00 C ATOM 0 H TRP A 48 -3.862 -2.033 -9.120 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.447 0.776 -8.217 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.441 0.187 -6.833 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.794 0.076 -8.546 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -3.716 -2.806 -7.434 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -5.181 -4.828 -7.186 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.326 -0.703 -7.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.844 -5.541 -7.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -10.337 -2.123 -7.482 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -10.088 -4.560 -7.161 1.00 0.00 H new ATOM 752 N THR A 49 -3.112 -0.110 -5.976 1.00 0.00 N ATOM 753 CA THR A 49 -2.454 -0.293 -4.675 1.00 0.00 C ATOM 754 C THR A 49 -3.254 -0.045 -3.419 1.00 0.00 C ATOM 755 O THR A 49 -3.729 1.056 -3.176 1.00 0.00 O ATOM 756 CB THR A 49 -1.188 0.604 -4.648 1.00 0.00 C ATOM 757 OG1 THR A 49 -0.900 0.690 -3.266 1.00 0.00 O ATOM 758 CG2 THR A 49 -1.488 2.067 -4.948 1.00 0.00 C ATOM 0 H THR A 49 -3.852 0.592 -5.979 1.00 0.00 H new ATOM 0 HA THR A 49 -2.254 -1.364 -4.631 1.00 0.00 H new ATOM 0 HB THR A 49 -0.451 0.200 -5.343 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.102 1.243 -3.132 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.563 2.642 -4.914 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.932 2.151 -5.940 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.184 2.455 -4.205 1.00 0.00 H new ATOM 766 N ALA A 50 -3.454 -1.079 -2.639 1.00 0.00 N ATOM 767 CA ALA A 50 -4.222 -0.753 -1.350 1.00 0.00 C ATOM 768 C ALA A 50 -2.931 -0.258 -0.713 1.00 0.00 C ATOM 769 O ALA A 50 -2.018 -1.050 -0.560 1.00 0.00 O ATOM 770 CB ALA A 50 -4.708 -1.905 -0.394 1.00 0.00 C ATOM 0 H ALA A 50 -3.163 -2.045 -2.792 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.148 -0.202 -1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.230 -1.473 0.460 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.384 -2.566 -0.936 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.847 -2.474 -0.043 1.00 0.00 H new ATOM 776 N PHE A 51 -2.926 1.010 -0.384 1.00 0.00 N ATOM 777 CA PHE A 51 -1.753 1.698 0.227 1.00 0.00 C ATOM 778 C PHE A 51 -1.572 1.762 1.788 1.00 0.00 C ATOM 779 O PHE A 51 -2.501 1.898 2.560 1.00 0.00 O ATOM 780 CB PHE A 51 -1.765 3.167 -0.395 1.00 0.00 C ATOM 781 CG PHE A 51 -2.646 4.161 0.403 1.00 0.00 C ATOM 782 CD1 PHE A 51 -2.106 4.860 1.469 1.00 0.00 C ATOM 783 CD2 PHE A 51 -3.976 4.394 0.083 1.00 0.00 C ATOM 784 CE1 PHE A 51 -2.861 5.762 2.191 1.00 0.00 C ATOM 785 CE2 PHE A 51 -4.741 5.298 0.802 1.00 0.00 C ATOM 786 CZ PHE A 51 -4.183 5.983 1.859 1.00 0.00 C ATOM 0 H PHE A 51 -3.730 1.623 -0.523 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.897 1.068 -0.016 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.744 3.547 -0.433 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.125 3.116 -1.423 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.074 4.696 1.741 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.423 3.860 -0.742 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -2.417 6.296 3.018 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.774 5.466 0.534 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.775 6.688 2.424 1.00 0.00 H new ATOM 796 N CYS A 52 -0.331 1.654 2.210 1.00 0.00 N ATOM 797 CA CYS A 52 0.027 1.708 3.694 1.00 0.00 C ATOM 798 C CYS A 52 1.515 2.054 4.064 1.00 0.00 C ATOM 799 O CYS A 52 2.256 1.286 4.645 1.00 0.00 O ATOM 800 CB CYS A 52 -0.400 0.349 4.334 1.00 0.00 C ATOM 801 SG CYS A 52 -0.503 -1.170 3.365 1.00 0.00 S ATOM 0 H CYS A 52 0.470 1.529 1.590 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.519 2.560 4.100 1.00 0.00 H new ATOM 0 HB2 CYS A 52 0.294 0.154 5.152 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -1.382 0.506 4.780 1.00 0.00 H new ATOM 806 N GLY A 53 1.925 3.243 3.706 1.00 0.00 N ATOM 807 CA GLY A 53 3.327 3.713 3.988 1.00 0.00 C ATOM 808 C GLY A 53 3.411 5.032 4.784 1.00 0.00 C ATOM 809 O GLY A 53 2.478 5.811 4.800 1.00 0.00 O ATOM 0 H GLY A 53 1.341 3.925 3.221 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.853 2.935 4.541 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.851 3.841 3.041 1.00 0.00 H new ATOM 813 N PRO A 54 4.544 5.250 5.412 1.00 0.00 N ATOM 814 CA PRO A 54 4.712 6.290 6.472 1.00 0.00 C ATOM 815 C PRO A 54 4.273 7.724 6.107 1.00 0.00 C ATOM 816 O PRO A 54 3.379 8.270 6.715 1.00 0.00 O ATOM 817 CB PRO A 54 6.208 6.173 6.832 1.00 0.00 C ATOM 818 CG PRO A 54 6.828 5.620 5.517 1.00 0.00 C ATOM 819 CD PRO A 54 5.824 4.528 5.150 1.00 0.00 C ATOM 0 HA PRO A 54 4.039 6.105 7.309 1.00 0.00 H new ATOM 0 HB2 PRO A 54 6.636 7.137 7.108 1.00 0.00 H new ATOM 0 HB3 PRO A 54 6.372 5.499 7.673 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.904 6.385 4.745 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.831 5.222 5.671 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.917 4.209 4.112 1.00 0.00 H new ATOM 0 HD3 PRO A 54 5.933 3.637 5.768 1.00 0.00 H new ATOM 827 N ALA A 55 4.897 8.310 5.121 1.00 0.00 N ATOM 828 CA ALA A 55 4.533 9.705 4.712 1.00 0.00 C ATOM 829 C ALA A 55 3.712 9.689 3.411 1.00 0.00 C ATOM 830 O ALA A 55 4.011 8.929 2.511 1.00 0.00 O ATOM 831 CB ALA A 55 5.857 10.483 4.536 1.00 0.00 C ATOM 0 H ALA A 55 5.647 7.884 4.577 1.00 0.00 H new ATOM 0 HA ALA A 55 3.911 10.186 5.467 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.640 11.508 4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.404 10.488 5.479 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.462 10.002 3.768 1.00 0.00 H new ATOM 837 N GLY A 56 2.712 10.531 3.343 1.00 0.00 N ATOM 838 CA GLY A 56 1.831 10.605 2.113 1.00 0.00 C ATOM 839 C GLY A 56 0.323 10.686 2.433 1.00 0.00 C ATOM 840 O GLY A 56 -0.403 9.740 2.165 1.00 0.00 O ATOM 0 H GLY A 56 2.458 11.180 4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.116 11.477 1.525 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.015 9.728 1.492 1.00 0.00 H new ATOM 844 N PRO A 57 -0.090 11.809 2.979 1.00 0.00 N ATOM 845 CA PRO A 57 -1.451 11.953 3.572 1.00 0.00 C ATOM 846 C PRO A 57 -2.566 12.033 2.494 1.00 0.00 C ATOM 847 O PRO A 57 -2.824 13.048 1.878 1.00 0.00 O ATOM 848 CB PRO A 57 -1.314 13.219 4.448 1.00 0.00 C ATOM 849 CG PRO A 57 -0.289 14.087 3.672 1.00 0.00 C ATOM 850 CD PRO A 57 0.713 13.064 3.078 1.00 0.00 C ATOM 0 HA PRO A 57 -1.767 11.090 4.158 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.269 13.732 4.564 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.959 12.977 5.450 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.774 14.669 2.888 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.211 14.796 4.332 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.082 13.383 2.103 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.583 12.934 3.721 1.00 0.00 H new ATOM 858 N ARG A 58 -3.183 10.896 2.321 1.00 0.00 N ATOM 859 CA ARG A 58 -4.307 10.680 1.347 1.00 0.00 C ATOM 860 C ARG A 58 -5.240 9.599 1.980 1.00 0.00 C ATOM 861 O ARG A 58 -4.972 9.144 3.075 1.00 0.00 O ATOM 862 CB ARG A 58 -3.559 10.337 -0.027 1.00 0.00 C ATOM 863 CG ARG A 58 -3.926 9.007 -0.742 1.00 0.00 C ATOM 864 CD ARG A 58 -3.013 7.893 -0.230 1.00 0.00 C ATOM 865 NE ARG A 58 -1.671 7.942 -0.919 1.00 0.00 N ATOM 866 CZ ARG A 58 -0.934 6.894 -0.865 1.00 0.00 C ATOM 867 NH1 ARG A 58 -0.210 6.792 0.176 1.00 0.00 N ATOM 868 NH2 ARG A 58 -0.938 6.015 -1.797 1.00 0.00 N ATOM 0 H ARG A 58 -2.941 10.055 2.846 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.980 11.511 1.134 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.747 11.154 -0.723 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.487 10.326 0.169 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.969 8.754 -0.553 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.815 9.117 -1.821 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.878 7.993 0.847 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.481 6.924 -0.404 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.361 8.780 -1.411 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.244 7.516 0.894 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.404 5.986 0.293 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -1.539 6.138 -2.612 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.340 5.192 -1.724 1.00 0.00 H new ATOM 882 N GLY A 59 -6.305 9.188 1.330 1.00 0.00 N ATOM 883 CA GLY A 59 -7.235 8.139 1.935 1.00 0.00 C ATOM 884 C GLY A 59 -8.750 8.452 1.813 1.00 0.00 C ATOM 885 O GLY A 59 -9.541 7.525 1.792 1.00 0.00 O ATOM 0 H GLY A 59 -6.582 9.524 0.408 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.038 7.181 1.454 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.988 8.023 2.990 1.00 0.00 H new ATOM 889 N GLN A 60 -9.077 9.725 1.753 1.00 0.00 N ATOM 890 CA GLN A 60 -10.511 10.167 1.629 1.00 0.00 C ATOM 891 C GLN A 60 -10.892 10.176 0.125 1.00 0.00 C ATOM 892 O GLN A 60 -11.046 9.130 -0.471 1.00 0.00 O ATOM 893 CB GLN A 60 -10.648 11.610 2.273 1.00 0.00 C ATOM 894 CG GLN A 60 -10.669 11.568 3.841 1.00 0.00 C ATOM 895 CD GLN A 60 -10.751 12.992 4.442 1.00 0.00 C ATOM 896 OE1 GLN A 60 -9.788 13.721 4.510 1.00 0.00 O ATOM 897 NE2 GLN A 60 -11.866 13.472 4.897 1.00 0.00 N ATOM 0 H GLN A 60 -8.402 10.489 1.785 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.186 9.490 2.152 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -9.818 12.233 1.940 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -11.563 12.080 1.913 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -11.521 10.979 4.179 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -9.771 11.069 4.205 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -12.714 12.906 4.868 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -11.895 14.415 5.284 1.00 0.00 H new ATOM 906 N ALA A 61 -11.036 11.320 -0.493 1.00 0.00 N ATOM 907 CA ALA A 61 -11.404 11.370 -1.950 1.00 0.00 C ATOM 908 C ALA A 61 -10.092 11.371 -2.771 1.00 0.00 C ATOM 909 O ALA A 61 -9.813 12.248 -3.568 1.00 0.00 O ATOM 910 CB ALA A 61 -12.254 12.647 -2.167 1.00 0.00 C ATOM 0 H ALA A 61 -10.915 12.231 -0.052 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.993 10.512 -2.273 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -12.541 12.719 -3.216 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -13.150 12.597 -1.548 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -11.670 13.524 -1.890 1.00 0.00 H new ATOM 916 N ALA A 62 -9.322 10.339 -2.525 1.00 0.00 N ATOM 917 CA ALA A 62 -8.004 10.158 -3.214 1.00 0.00 C ATOM 918 C ALA A 62 -8.029 9.050 -4.287 1.00 0.00 C ATOM 919 O ALA A 62 -7.075 8.917 -5.034 1.00 0.00 O ATOM 920 CB ALA A 62 -6.929 9.834 -2.136 1.00 0.00 C ATOM 0 H ALA A 62 -9.556 9.600 -1.863 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.768 11.084 -3.739 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.960 9.698 -2.617 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.868 10.657 -1.424 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.204 8.919 -1.611 1.00 0.00 H new ATOM 926 N CYS A 63 -9.106 8.294 -4.345 1.00 0.00 N ATOM 927 CA CYS A 63 -9.275 7.169 -5.338 1.00 0.00 C ATOM 928 C CYS A 63 -9.733 7.755 -6.699 1.00 0.00 C ATOM 929 O CYS A 63 -10.737 7.496 -7.331 1.00 0.00 O ATOM 930 CB CYS A 63 -10.301 6.158 -4.752 1.00 0.00 C ATOM 931 SG CYS A 63 -10.679 4.721 -5.789 1.00 0.00 S ATOM 0 H CYS A 63 -9.905 8.414 -3.723 1.00 0.00 H new ATOM 0 HA CYS A 63 -8.337 6.643 -5.513 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -9.923 5.801 -3.794 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.231 6.690 -4.550 1.00 0.00 H new ATOM 936 N GLY A 64 -8.835 8.616 -7.068 1.00 0.00 N ATOM 937 CA GLY A 64 -8.848 9.417 -8.315 1.00 0.00 C ATOM 938 C GLY A 64 -7.398 9.546 -8.800 1.00 0.00 C ATOM 939 O GLY A 64 -7.170 9.858 -9.948 1.00 0.00 O ATOM 0 H GLY A 64 -8.015 8.811 -6.494 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.464 8.934 -9.074 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.280 10.401 -8.133 1.00 0.00 H new ATOM 943 N LYS A 65 -6.446 9.287 -7.923 1.00 0.00 N ATOM 944 CA LYS A 65 -5.002 9.398 -8.307 1.00 0.00 C ATOM 945 C LYS A 65 -4.200 8.112 -8.354 1.00 0.00 C ATOM 946 O LYS A 65 -4.611 7.028 -7.970 1.00 0.00 O ATOM 947 CB LYS A 65 -4.277 10.347 -7.321 1.00 0.00 C ATOM 948 CG LYS A 65 -4.641 11.766 -7.646 1.00 0.00 C ATOM 949 CD LYS A 65 -6.068 12.113 -7.111 1.00 0.00 C ATOM 950 CE LYS A 65 -6.739 13.043 -8.105 1.00 0.00 C ATOM 951 NZ LYS A 65 -5.722 14.072 -8.435 1.00 0.00 N ATOM 0 H LYS A 65 -6.613 9.003 -6.957 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.042 9.766 -9.332 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.561 10.112 -6.295 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.198 10.210 -7.392 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.909 12.443 -7.206 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.606 11.916 -8.725 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.657 11.205 -6.984 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.001 12.588 -6.132 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.054 12.502 -8.997 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.632 13.497 -7.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.193 14.984 -8.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.054 14.166 -7.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.206 13.788 -9.292 1.00 0.00 H new ATOM 965 N CYS A 66 -3.018 8.344 -8.845 1.00 0.00 N ATOM 966 CA CYS A 66 -2.026 7.287 -9.006 1.00 0.00 C ATOM 967 C CYS A 66 -0.797 7.616 -8.144 1.00 0.00 C ATOM 968 O CYS A 66 -0.479 8.745 -7.830 1.00 0.00 O ATOM 969 CB CYS A 66 -1.739 7.215 -10.520 1.00 0.00 C ATOM 970 SG CYS A 66 -3.033 6.391 -11.484 1.00 0.00 S ATOM 0 H CYS A 66 -2.701 9.265 -9.149 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.362 6.307 -8.665 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.607 8.227 -10.902 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -0.796 6.690 -10.675 1.00 0.00 H new ATOM 975 N LEU A 67 -0.107 6.591 -7.755 1.00 0.00 N ATOM 976 CA LEU A 67 1.112 6.790 -6.912 1.00 0.00 C ATOM 977 C LEU A 67 2.236 6.380 -7.863 1.00 0.00 C ATOM 978 O LEU A 67 2.145 5.362 -8.524 1.00 0.00 O ATOM 979 CB LEU A 67 1.010 5.858 -5.678 1.00 0.00 C ATOM 980 CG LEU A 67 1.632 6.487 -4.396 1.00 0.00 C ATOM 981 CD1 LEU A 67 1.560 5.401 -3.334 1.00 0.00 C ATOM 982 CD2 LEU A 67 3.118 6.854 -4.559 1.00 0.00 C ATOM 0 H LEU A 67 -0.327 5.621 -7.980 1.00 0.00 H new ATOM 0 HA LEU A 67 1.258 7.797 -6.521 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.038 5.623 -5.491 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.513 4.916 -5.897 1.00 0.00 H new ATOM 0 HG LEU A 67 1.092 7.403 -4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.982 5.775 -2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.520 5.117 -3.173 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.126 4.530 -3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.490 7.287 -3.630 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.690 5.957 -4.796 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.228 7.578 -5.366 1.00 0.00 H new ATOM 994 N ARG A 68 3.262 7.160 -7.931 1.00 0.00 N ATOM 995 CA ARG A 68 4.380 6.808 -8.835 1.00 0.00 C ATOM 996 C ARG A 68 5.445 6.164 -7.943 1.00 0.00 C ATOM 997 O ARG A 68 5.843 6.769 -6.965 1.00 0.00 O ATOM 998 CB ARG A 68 4.805 8.112 -9.465 1.00 0.00 C ATOM 999 CG ARG A 68 6.143 7.985 -10.169 1.00 0.00 C ATOM 1000 CD ARG A 68 6.321 9.292 -10.890 1.00 0.00 C ATOM 1001 NE ARG A 68 7.617 9.198 -11.619 1.00 0.00 N ATOM 1002 CZ ARG A 68 8.277 10.237 -11.944 1.00 0.00 C ATOM 1003 NH1 ARG A 68 7.701 11.030 -12.740 1.00 0.00 N ATOM 1004 NH2 ARG A 68 9.445 10.440 -11.489 1.00 0.00 N ATOM 0 H ARG A 68 3.379 8.025 -7.403 1.00 0.00 H new ATOM 0 HA ARG A 68 4.151 6.105 -9.636 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.047 8.435 -10.179 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.869 8.883 -8.697 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.950 7.812 -9.457 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.146 7.146 -10.864 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.498 9.469 -11.582 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.330 10.125 -10.187 1.00 0.00 H new ATOM 0 HE ARG A 68 7.985 8.279 -11.864 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.763 10.818 -13.081 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.173 11.882 -13.042 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.869 9.765 -10.852 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.959 11.278 -11.760 1.00 0.00 H new ATOM 1018 N VAL A 69 5.885 4.984 -8.269 1.00 0.00 N ATOM 1019 CA VAL A 69 6.926 4.326 -7.416 1.00 0.00 C ATOM 1020 C VAL A 69 8.194 4.134 -8.251 1.00 0.00 C ATOM 1021 O VAL A 69 8.102 3.641 -9.360 1.00 0.00 O ATOM 1022 CB VAL A 69 6.369 2.959 -6.920 1.00 0.00 C ATOM 1023 CG1 VAL A 69 7.422 2.334 -5.983 1.00 0.00 C ATOM 1024 CG2 VAL A 69 5.070 3.183 -6.126 1.00 0.00 C ATOM 0 H VAL A 69 5.577 4.446 -9.079 1.00 0.00 H new ATOM 0 HA VAL A 69 7.170 4.940 -6.549 1.00 0.00 H new ATOM 0 HB VAL A 69 6.162 2.307 -7.769 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.060 1.373 -5.618 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.354 2.187 -6.529 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.598 3.000 -5.138 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.684 2.224 -5.781 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.274 3.822 -5.267 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.330 3.662 -6.767 1.00 0.00 H new ATOM 1034 N THR A 70 9.313 4.537 -7.699 1.00 0.00 N ATOM 1035 CA THR A 70 10.664 4.421 -8.378 1.00 0.00 C ATOM 1036 C THR A 70 11.693 3.650 -7.520 1.00 0.00 C ATOM 1037 O THR A 70 11.735 3.849 -6.315 1.00 0.00 O ATOM 1038 CB THR A 70 11.278 5.802 -8.629 1.00 0.00 C ATOM 1039 OG1 THR A 70 10.442 6.492 -9.546 1.00 0.00 O ATOM 1040 CG2 THR A 70 12.633 5.640 -9.385 1.00 0.00 C ATOM 0 H THR A 70 9.356 4.959 -6.771 1.00 0.00 H new ATOM 0 HA THR A 70 10.469 3.889 -9.309 1.00 0.00 H new ATOM 0 HB THR A 70 11.397 6.315 -7.675 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.814 7.382 -9.722 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.070 6.623 -9.564 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.317 5.043 -8.782 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.460 5.141 -10.339 1.00 0.00 H new ATOM 1048 N ASN A 71 12.477 2.823 -8.169 1.00 0.00 N ATOM 1049 CA ASN A 71 13.526 2.015 -7.468 1.00 0.00 C ATOM 1050 C ASN A 71 14.988 2.331 -7.896 1.00 0.00 C ATOM 1051 O ASN A 71 15.492 1.663 -8.787 1.00 0.00 O ATOM 1052 CB ASN A 71 13.168 0.555 -7.738 1.00 0.00 C ATOM 1053 CG ASN A 71 14.228 -0.373 -7.160 1.00 0.00 C ATOM 1054 OD1 ASN A 71 14.974 -0.020 -6.274 1.00 0.00 O ATOM 1055 ND2 ASN A 71 14.333 -1.577 -7.619 1.00 0.00 N ATOM 0 H ASN A 71 12.433 2.671 -9.177 1.00 0.00 H new ATOM 0 HA ASN A 71 13.520 2.261 -6.406 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.197 0.326 -7.298 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.079 0.390 -8.812 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.035 -2.210 -7.235 1.00 0.00 H new ATOM 0 HD22 ASN A 71 13.714 -1.894 -8.365 1.00 0.00 H new ATOM 1062 N PRO A 72 15.639 3.303 -7.279 1.00 0.00 N ATOM 1063 CA PRO A 72 16.990 3.785 -7.725 1.00 0.00 C ATOM 1064 C PRO A 72 17.897 2.618 -8.140 1.00 0.00 C ATOM 1065 O PRO A 72 18.508 2.626 -9.187 1.00 0.00 O ATOM 1066 CB PRO A 72 17.494 4.585 -6.523 1.00 0.00 C ATOM 1067 CG PRO A 72 16.181 5.207 -6.001 1.00 0.00 C ATOM 1068 CD PRO A 72 15.165 4.041 -6.069 1.00 0.00 C ATOM 0 HA PRO A 72 16.967 4.402 -8.623 1.00 0.00 H new ATOM 0 HB2 PRO A 72 17.972 3.950 -5.778 1.00 0.00 H new ATOM 0 HB3 PRO A 72 18.222 5.343 -6.810 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.293 5.581 -4.983 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.865 6.049 -6.617 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.192 3.420 -5.173 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.140 4.396 -6.180 1.00 0.00 H new ATOM 1076 N ALA A 73 17.927 1.649 -7.257 1.00 0.00 N ATOM 1077 CA ALA A 73 18.723 0.391 -7.413 1.00 0.00 C ATOM 1078 C ALA A 73 18.745 -0.146 -8.865 1.00 0.00 C ATOM 1079 O ALA A 73 19.765 -0.601 -9.341 1.00 0.00 O ATOM 1080 CB ALA A 73 18.110 -0.636 -6.442 1.00 0.00 C ATOM 0 H ALA A 73 17.400 1.684 -6.384 1.00 0.00 H new ATOM 0 HA ALA A 73 19.769 0.589 -7.181 1.00 0.00 H new ATOM 0 HB1 ALA A 73 18.656 -1.577 -6.515 1.00 0.00 H new ATOM 0 HB2 ALA A 73 18.176 -0.257 -5.422 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.064 -0.802 -6.700 1.00 0.00 H new ATOM 1086 N THR A 74 17.607 -0.065 -9.509 1.00 0.00 N ATOM 1087 CA THR A 74 17.478 -0.556 -10.933 1.00 0.00 C ATOM 1088 C THR A 74 17.211 0.574 -11.908 1.00 0.00 C ATOM 1089 O THR A 74 17.695 0.594 -13.022 1.00 0.00 O ATOM 1090 CB THR A 74 16.301 -1.561 -11.103 1.00 0.00 C ATOM 1091 OG1 THR A 74 15.105 -0.882 -10.723 1.00 0.00 O ATOM 1092 CG2 THR A 74 16.420 -2.694 -10.104 1.00 0.00 C ATOM 0 H THR A 74 16.750 0.322 -9.113 1.00 0.00 H new ATOM 0 HA THR A 74 18.433 -1.035 -11.147 1.00 0.00 H new ATOM 0 HB THR A 74 16.305 -1.931 -12.128 1.00 0.00 H new ATOM 0 HG1 THR A 74 14.340 -1.487 -10.819 1.00 0.00 H new ATOM 0 HG21 THR A 74 15.589 -3.386 -10.238 1.00 0.00 H new ATOM 0 HG22 THR A 74 17.361 -3.222 -10.262 1.00 0.00 H new ATOM 0 HG23 THR A 74 16.396 -2.290 -9.092 1.00 0.00 H new ATOM 1100 N GLY A 75 16.421 1.485 -11.424 1.00 0.00 N ATOM 1101 CA GLY A 75 16.022 2.671 -12.225 1.00 0.00 C ATOM 1102 C GLY A 75 14.593 2.430 -12.702 1.00 0.00 C ATOM 1103 O GLY A 75 14.034 3.299 -13.336 1.00 0.00 O ATOM 0 H GLY A 75 16.025 1.457 -10.484 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.080 3.579 -11.624 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.693 2.807 -13.073 1.00 0.00 H new ATOM 1107 N ALA A 76 14.012 1.294 -12.406 1.00 0.00 N ATOM 1108 CA ALA A 76 12.614 1.083 -12.891 1.00 0.00 C ATOM 1109 C ALA A 76 11.623 1.936 -12.068 1.00 0.00 C ATOM 1110 O ALA A 76 11.791 2.179 -10.882 1.00 0.00 O ATOM 1111 CB ALA A 76 12.289 -0.433 -12.774 1.00 0.00 C ATOM 0 H ALA A 76 14.425 0.530 -11.871 1.00 0.00 H new ATOM 0 HA ALA A 76 12.519 1.397 -13.930 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.272 -0.615 -13.122 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.989 -1.003 -13.384 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.377 -0.745 -11.733 1.00 0.00 H new ATOM 1117 N GLN A 77 10.615 2.370 -12.788 1.00 0.00 N ATOM 1118 CA GLN A 77 9.493 3.223 -12.253 1.00 0.00 C ATOM 1119 C GLN A 77 8.110 2.824 -12.848 1.00 0.00 C ATOM 1120 O GLN A 77 8.003 2.554 -14.031 1.00 0.00 O ATOM 1121 CB GLN A 77 9.838 4.708 -12.593 1.00 0.00 C ATOM 1122 CG GLN A 77 8.738 5.743 -12.090 1.00 0.00 C ATOM 1123 CD GLN A 77 7.611 6.069 -13.099 1.00 0.00 C ATOM 1124 OE1 GLN A 77 7.802 6.702 -14.113 1.00 0.00 O ATOM 1125 NE2 GLN A 77 6.403 5.674 -12.879 1.00 0.00 N ATOM 0 H GLN A 77 10.517 2.157 -13.781 1.00 0.00 H new ATOM 0 HA GLN A 77 9.406 3.078 -11.176 1.00 0.00 H new ATOM 0 HB2 GLN A 77 10.798 4.962 -12.144 1.00 0.00 H new ATOM 0 HB3 GLN A 77 9.954 4.808 -13.672 1.00 0.00 H new ATOM 0 HG2 GLN A 77 8.284 5.349 -11.181 1.00 0.00 H new ATOM 0 HG3 GLN A 77 9.238 6.673 -11.819 1.00 0.00 H new ATOM 0 HE21 GLN A 77 6.187 5.137 -12.039 1.00 0.00 H new ATOM 0 HE22 GLN A 77 5.664 5.899 -13.545 1.00 0.00 H new ATOM 1134 N ILE A 78 7.109 2.796 -12.007 1.00 0.00 N ATOM 1135 CA ILE A 78 5.713 2.439 -12.445 1.00 0.00 C ATOM 1136 C ILE A 78 4.629 3.440 -11.907 1.00 0.00 C ATOM 1137 O ILE A 78 4.925 4.241 -11.035 1.00 0.00 O ATOM 1138 CB ILE A 78 5.533 1.000 -11.942 1.00 0.00 C ATOM 1139 CG1 ILE A 78 4.382 0.236 -12.668 1.00 0.00 C ATOM 1140 CG2 ILE A 78 5.271 0.982 -10.416 1.00 0.00 C ATOM 1141 CD1 ILE A 78 4.939 -1.030 -13.394 1.00 0.00 C ATOM 0 H ILE A 78 7.196 3.009 -11.013 1.00 0.00 H new ATOM 0 HA ILE A 78 5.579 2.510 -13.524 1.00 0.00 H new ATOM 0 HB ILE A 78 6.466 0.484 -12.170 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.620 -0.057 -11.946 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.900 0.894 -13.391 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.146 -0.048 -10.080 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.116 1.433 -9.896 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.366 1.548 -10.196 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.123 -1.551 -13.895 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.684 -0.729 -14.131 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.400 -1.695 -12.664 1.00 0.00 H new ATOM 1153 N THR A 79 3.427 3.369 -12.439 1.00 0.00 N ATOM 1154 CA THR A 79 2.266 4.260 -12.021 1.00 0.00 C ATOM 1155 C THR A 79 1.137 3.371 -11.478 1.00 0.00 C ATOM 1156 O THR A 79 0.533 2.642 -12.240 1.00 0.00 O ATOM 1157 CB THR A 79 1.687 5.059 -13.223 1.00 0.00 C ATOM 1158 OG1 THR A 79 2.726 5.923 -13.656 1.00 0.00 O ATOM 1159 CG2 THR A 79 0.656 6.087 -12.792 1.00 0.00 C ATOM 0 H THR A 79 3.185 2.706 -13.176 1.00 0.00 H new ATOM 0 HA THR A 79 2.637 4.961 -11.273 1.00 0.00 H new ATOM 0 HB THR A 79 1.287 4.333 -13.930 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.414 6.453 -14.419 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.283 6.617 -13.668 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.172 5.584 -12.292 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.116 6.798 -12.106 1.00 0.00 H new ATOM 1167 N ALA A 80 0.875 3.447 -10.206 1.00 0.00 N ATOM 1168 CA ALA A 80 -0.214 2.594 -9.634 1.00 0.00 C ATOM 1169 C ALA A 80 -1.465 3.414 -9.292 1.00 0.00 C ATOM 1170 O ALA A 80 -1.376 4.605 -9.099 1.00 0.00 O ATOM 1171 CB ALA A 80 0.349 1.920 -8.382 1.00 0.00 C ATOM 0 H ALA A 80 1.357 4.052 -9.541 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.527 1.853 -10.370 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.417 1.287 -7.934 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.211 1.310 -8.653 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.655 2.682 -7.665 1.00 0.00 H new ATOM 1177 N ARG A 81 -2.574 2.729 -9.220 1.00 0.00 N ATOM 1178 CA ARG A 81 -3.927 3.286 -8.905 1.00 0.00 C ATOM 1179 C ARG A 81 -4.141 3.312 -7.373 1.00 0.00 C ATOM 1180 O ARG A 81 -4.237 2.268 -6.758 1.00 0.00 O ATOM 1181 CB ARG A 81 -4.940 2.353 -9.655 1.00 0.00 C ATOM 1182 CG ARG A 81 -6.411 2.420 -9.096 1.00 0.00 C ATOM 1183 CD ARG A 81 -7.237 3.656 -9.455 1.00 0.00 C ATOM 1184 NE ARG A 81 -6.514 4.904 -9.048 1.00 0.00 N ATOM 1185 CZ ARG A 81 -6.191 5.794 -9.925 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -5.528 5.383 -10.927 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -6.540 7.008 -9.758 1.00 0.00 N ATOM 0 H ARG A 81 -2.595 1.722 -9.381 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.057 4.318 -9.232 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.952 2.622 -10.711 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.585 1.324 -9.592 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.948 1.540 -9.450 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -6.364 2.349 -8.009 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.430 3.673 -10.528 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.206 3.611 -8.958 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.275 5.052 -8.068 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.280 4.397 -11.005 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.243 6.039 -11.654 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -7.074 7.276 -8.932 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.285 7.712 -10.451 1.00 0.00 H new ATOM 1201 N ILE A 82 -4.210 4.473 -6.769 1.00 0.00 N ATOM 1202 CA ILE A 82 -4.420 4.514 -5.273 1.00 0.00 C ATOM 1203 C ILE A 82 -5.833 3.978 -5.089 1.00 0.00 C ATOM 1204 O ILE A 82 -6.741 4.561 -5.658 1.00 0.00 O ATOM 1205 CB ILE A 82 -4.339 5.984 -4.707 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -2.909 6.514 -4.974 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -4.645 5.950 -3.162 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -2.645 7.817 -4.174 1.00 0.00 C ATOM 0 H ILE A 82 -4.133 5.381 -7.228 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.657 3.942 -4.745 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.065 6.639 -5.188 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.177 5.756 -4.694 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.780 6.704 -6.040 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.592 6.961 -2.758 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.644 5.545 -2.998 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.911 5.320 -2.660 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.634 8.170 -4.378 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.363 8.580 -4.474 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.752 7.617 -3.108 1.00 0.00 H new ATOM 1220 N VAL A 83 -5.999 2.912 -4.346 1.00 0.00 N ATOM 1221 CA VAL A 83 -7.403 2.407 -4.186 1.00 0.00 C ATOM 1222 C VAL A 83 -7.823 2.127 -2.745 1.00 0.00 C ATOM 1223 O VAL A 83 -8.919 2.491 -2.370 1.00 0.00 O ATOM 1224 CB VAL A 83 -7.528 1.135 -5.074 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -6.604 0.041 -4.573 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -8.959 0.576 -5.072 1.00 0.00 C ATOM 0 H VAL A 83 -5.267 2.390 -3.864 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.089 3.193 -4.501 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.256 1.435 -6.086 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.706 -0.840 -5.207 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.573 0.393 -4.604 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.868 -0.217 -3.548 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.004 -0.311 -5.704 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.245 0.312 -4.054 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.645 1.331 -5.457 1.00 0.00 H new ATOM 1236 N ASP A 84 -6.978 1.509 -1.961 1.00 0.00 N ATOM 1237 CA ASP A 84 -7.419 1.230 -0.541 1.00 0.00 C ATOM 1238 C ASP A 84 -6.400 1.601 0.548 1.00 0.00 C ATOM 1239 O ASP A 84 -5.288 1.943 0.220 1.00 0.00 O ATOM 1240 CB ASP A 84 -7.779 -0.255 -0.551 1.00 0.00 C ATOM 1241 CG ASP A 84 -8.206 -0.723 0.837 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -9.119 -0.111 1.366 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -7.587 -1.666 1.282 1.00 0.00 O ATOM 0 H ASP A 84 -6.042 1.194 -2.216 1.00 0.00 H new ATOM 0 HA ASP A 84 -8.259 1.868 -0.265 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.585 -0.433 -1.263 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -6.922 -0.838 -0.888 1.00 0.00 H new ATOM 1248 N GLN A 85 -6.782 1.534 1.797 1.00 0.00 N ATOM 1249 CA GLN A 85 -5.836 1.876 2.905 1.00 0.00 C ATOM 1250 C GLN A 85 -5.719 0.683 3.891 1.00 0.00 C ATOM 1251 O GLN A 85 -6.702 0.172 4.397 1.00 0.00 O ATOM 1252 CB GLN A 85 -6.384 3.134 3.596 1.00 0.00 C ATOM 1253 CG GLN A 85 -5.223 3.940 4.284 1.00 0.00 C ATOM 1254 CD GLN A 85 -4.519 3.177 5.405 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -4.915 3.107 6.546 1.00 0.00 O ATOM 1256 NE2 GLN A 85 -3.434 2.557 5.119 1.00 0.00 N ATOM 0 H GLN A 85 -7.715 1.255 2.101 1.00 0.00 H new ATOM 0 HA GLN A 85 -4.833 2.072 2.526 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.889 3.766 2.865 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.128 2.851 4.341 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.488 4.216 3.528 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -5.628 4.868 4.688 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -3.064 2.589 4.169 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -2.941 2.032 5.841 1.00 0.00 H new ATOM 1265 N CYS A 86 -4.499 0.288 4.145 1.00 0.00 N ATOM 1266 CA CYS A 86 -4.212 -0.856 5.076 1.00 0.00 C ATOM 1267 C CYS A 86 -3.520 -0.534 6.424 1.00 0.00 C ATOM 1268 O CYS A 86 -2.791 0.424 6.589 1.00 0.00 O ATOM 1269 CB CYS A 86 -3.368 -1.877 4.261 1.00 0.00 C ATOM 1270 SG CYS A 86 -2.452 -1.236 2.831 1.00 0.00 S ATOM 0 H CYS A 86 -3.667 0.717 3.739 1.00 0.00 H new ATOM 0 HA CYS A 86 -5.179 -1.235 5.407 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -2.653 -2.343 4.939 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -4.035 -2.664 3.910 1.00 0.00 H new ATOM 1275 N ALA A 87 -3.806 -1.400 7.364 1.00 0.00 N ATOM 1276 CA ALA A 87 -3.254 -1.320 8.766 1.00 0.00 C ATOM 1277 C ALA A 87 -2.457 -2.627 9.108 1.00 0.00 C ATOM 1278 O ALA A 87 -1.795 -2.758 10.119 1.00 0.00 O ATOM 1279 CB ALA A 87 -4.474 -1.106 9.689 1.00 0.00 C ATOM 0 H ALA A 87 -4.426 -2.196 7.216 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.545 -0.501 8.890 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.140 -1.039 10.724 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.982 -0.183 9.412 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.162 -1.945 9.583 1.00 0.00 H new ATOM 1285 N ASN A 88 -2.594 -3.547 8.192 1.00 0.00 N ATOM 1286 CA ASN A 88 -1.994 -4.917 8.160 1.00 0.00 C ATOM 1287 C ASN A 88 -1.308 -5.102 6.771 1.00 0.00 C ATOM 1288 O ASN A 88 -1.152 -6.191 6.254 1.00 0.00 O ATOM 1289 CB ASN A 88 -3.199 -5.886 8.417 1.00 0.00 C ATOM 1290 CG ASN A 88 -4.419 -5.520 7.540 1.00 0.00 C ATOM 1291 OD1 ASN A 88 -4.683 -4.383 7.208 1.00 0.00 O ATOM 1292 ND2 ASN A 88 -5.236 -6.428 7.122 1.00 0.00 N ATOM 0 H ASN A 88 -3.169 -3.376 7.367 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.222 -5.106 8.906 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -2.894 -6.911 8.207 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.481 -5.846 9.469 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -6.040 -6.167 6.552 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -5.077 -7.407 7.362 1.00 0.00 H new ATOM 1299 N GLY A 89 -0.914 -3.983 6.222 1.00 0.00 N ATOM 1300 CA GLY A 89 -0.235 -3.905 4.883 1.00 0.00 C ATOM 1301 C GLY A 89 1.128 -3.261 5.029 1.00 0.00 C ATOM 1302 O GLY A 89 1.527 -2.891 6.114 1.00 0.00 O ATOM 0 H GLY A 89 -1.040 -3.074 6.666 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.131 -4.904 4.460 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.846 -3.328 4.189 1.00 0.00 H new ATOM 1306 N GLY A 90 1.830 -3.133 3.946 1.00 0.00 N ATOM 1307 CA GLY A 90 3.184 -2.519 4.008 1.00 0.00 C ATOM 1308 C GLY A 90 3.473 -1.839 2.707 1.00 0.00 C ATOM 1309 O GLY A 90 4.401 -2.206 2.035 1.00 0.00 O ATOM 0 H GLY A 90 1.527 -3.426 3.017 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.234 -1.801 4.827 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.935 -3.284 4.208 1.00 0.00 H new ATOM 1313 N LEU A 91 2.638 -0.894 2.399 1.00 0.00 N ATOM 1314 CA LEU A 91 2.760 -0.059 1.122 1.00 0.00 C ATOM 1315 C LEU A 91 1.731 -0.015 0.043 1.00 0.00 C ATOM 1316 O LEU A 91 1.205 1.024 -0.306 1.00 0.00 O ATOM 1317 CB LEU A 91 4.146 -0.350 0.354 1.00 0.00 C ATOM 1318 CG LEU A 91 4.438 0.612 -0.859 1.00 0.00 C ATOM 1319 CD1 LEU A 91 4.528 2.093 -0.440 1.00 0.00 C ATOM 1320 CD2 LEU A 91 5.808 0.206 -1.439 1.00 0.00 C ATOM 0 H LEU A 91 1.842 -0.639 2.983 1.00 0.00 H new ATOM 0 HA LEU A 91 2.635 0.900 1.625 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.965 -0.272 1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.136 -1.378 -0.009 1.00 0.00 H new ATOM 0 HG LEU A 91 3.620 0.519 -1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.731 2.708 -1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.584 2.402 0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 91 5.333 2.218 0.284 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.050 0.850 -2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.574 0.312 -0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.769 -0.831 -1.772 1.00 0.00 H new ATOM 1332 N ASP A 92 1.558 -1.195 -0.378 1.00 0.00 N ATOM 1333 CA ASP A 92 0.604 -1.518 -1.501 1.00 0.00 C ATOM 1334 C ASP A 92 -0.184 -2.854 -1.688 1.00 0.00 C ATOM 1335 O ASP A 92 0.150 -3.868 -1.126 1.00 0.00 O ATOM 1336 CB ASP A 92 1.496 -1.218 -2.708 1.00 0.00 C ATOM 1337 CG ASP A 92 2.856 -1.955 -2.540 1.00 0.00 C ATOM 1338 OD1 ASP A 92 3.050 -2.876 -1.758 1.00 0.00 O ATOM 1339 OD2 ASP A 92 3.677 -1.480 -3.289 1.00 0.00 O ATOM 0 H ASP A 92 2.043 -2.007 0.003 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.303 -0.950 -1.292 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.005 -1.541 -3.626 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.660 -0.144 -2.795 1.00 0.00 H new ATOM 1344 N LEU A 93 -1.250 -2.855 -2.477 1.00 0.00 N ATOM 1345 CA LEU A 93 -2.068 -4.116 -2.762 1.00 0.00 C ATOM 1346 C LEU A 93 -1.843 -4.152 -4.276 1.00 0.00 C ATOM 1347 O LEU A 93 -2.712 -3.813 -5.050 1.00 0.00 O ATOM 1348 CB LEU A 93 -3.651 -3.967 -2.410 1.00 0.00 C ATOM 1349 CG LEU A 93 -4.775 -3.975 -3.567 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -6.149 -4.303 -2.955 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -4.993 -2.589 -4.233 1.00 0.00 C ATOM 0 H LEU A 93 -1.600 -2.021 -2.948 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.782 -4.995 -2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.900 -4.774 -1.721 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.767 -3.032 -1.862 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.418 -4.702 -4.296 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.905 -4.307 -3.740 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.112 -5.284 -2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.404 -3.550 -2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.762 -2.671 -5.001 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.309 -1.868 -3.479 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.061 -2.253 -4.688 1.00 0.00 H new ATOM 1363 N ASP A 94 -0.619 -4.464 -4.594 1.00 0.00 N ATOM 1364 CA ASP A 94 -0.083 -4.581 -5.957 1.00 0.00 C ATOM 1365 C ASP A 94 -0.171 -5.960 -6.622 1.00 0.00 C ATOM 1366 O ASP A 94 -1.077 -6.279 -7.360 1.00 0.00 O ATOM 1367 CB ASP A 94 1.374 -3.958 -5.849 1.00 0.00 C ATOM 1368 CG ASP A 94 2.368 -4.710 -5.055 1.00 0.00 C ATOM 1369 OD1 ASP A 94 1.864 -5.150 -4.058 1.00 0.00 O ATOM 1370 OD2 ASP A 94 3.504 -4.795 -5.486 1.00 0.00 O ATOM 0 H ASP A 94 0.086 -4.658 -3.883 1.00 0.00 H new ATOM 0 HA ASP A 94 -0.709 -4.041 -6.667 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.767 -3.839 -6.859 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.285 -2.959 -5.422 1.00 0.00 H new ATOM 1375 N TRP A 95 0.842 -6.734 -6.310 1.00 0.00 N ATOM 1376 CA TRP A 95 1.081 -8.129 -6.784 1.00 0.00 C ATOM 1377 C TRP A 95 1.576 -8.094 -8.222 1.00 0.00 C ATOM 1378 O TRP A 95 2.387 -8.895 -8.635 1.00 0.00 O ATOM 1379 CB TRP A 95 -0.158 -8.998 -6.764 1.00 0.00 C ATOM 1380 CG TRP A 95 0.511 -10.398 -6.872 1.00 0.00 C ATOM 1381 CD1 TRP A 95 1.110 -11.058 -5.831 1.00 0.00 C ATOM 1382 CD2 TRP A 95 0.671 -11.137 -7.993 1.00 0.00 C ATOM 1383 NE1 TRP A 95 1.592 -12.150 -6.397 1.00 0.00 N ATOM 1384 CE2 TRP A 95 1.376 -12.278 -7.689 1.00 0.00 C ATOM 1385 CE3 TRP A 95 0.282 -10.914 -9.297 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 1.697 -13.187 -8.661 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 0.602 -11.823 -10.281 1.00 0.00 C ATOM 1388 CH2 TRP A 95 1.312 -12.963 -9.963 1.00 0.00 C ATOM 0 H TRP A 95 1.580 -6.413 -5.683 1.00 0.00 H new ATOM 0 HA TRP A 95 1.811 -8.557 -6.097 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.738 -8.880 -5.849 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.830 -8.789 -7.596 1.00 0.00 H new ATOM 0 HD1 TRP A 95 1.173 -10.757 -4.796 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.102 -12.854 -5.863 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.275 -10.024 -9.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 2.251 -14.078 -8.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.297 -11.644 -11.302 1.00 0.00 H new ATOM 0 HH2 TRP A 95 1.565 -13.677 -10.733 1.00 0.00 H new ATOM 1399 N ASP A 96 1.028 -7.189 -8.976 1.00 0.00 N ATOM 1400 CA ASP A 96 1.473 -7.055 -10.395 1.00 0.00 C ATOM 1401 C ASP A 96 1.873 -5.590 -10.731 1.00 0.00 C ATOM 1402 O ASP A 96 2.471 -5.337 -11.760 1.00 0.00 O ATOM 1403 CB ASP A 96 0.304 -7.594 -11.283 1.00 0.00 C ATOM 1404 CG ASP A 96 -0.992 -6.789 -11.209 1.00 0.00 C ATOM 1405 OD1 ASP A 96 -1.542 -6.614 -10.137 1.00 0.00 O ATOM 1406 OD2 ASP A 96 -1.365 -6.397 -12.301 1.00 0.00 O ATOM 0 H ASP A 96 0.299 -6.540 -8.680 1.00 0.00 H new ATOM 0 HA ASP A 96 2.375 -7.636 -10.586 1.00 0.00 H new ATOM 0 HB2 ASP A 96 0.639 -7.620 -12.320 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.092 -8.622 -10.991 1.00 0.00 H new ATOM 1411 N THR A 97 1.547 -4.672 -9.865 1.00 0.00 N ATOM 1412 CA THR A 97 1.862 -3.214 -10.077 1.00 0.00 C ATOM 1413 C THR A 97 3.202 -2.524 -9.593 1.00 0.00 C ATOM 1414 O THR A 97 3.981 -2.080 -10.417 1.00 0.00 O ATOM 1415 CB THR A 97 0.622 -2.448 -9.494 1.00 0.00 C ATOM 1416 OG1 THR A 97 0.895 -2.305 -8.123 1.00 0.00 O ATOM 1417 CG2 THR A 97 -0.648 -3.362 -9.401 1.00 0.00 C ATOM 0 H THR A 97 1.061 -4.869 -8.990 1.00 0.00 H new ATOM 0 HA THR A 97 2.062 -3.157 -11.147 1.00 0.00 H new ATOM 0 HB THR A 97 0.462 -1.558 -10.103 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.067 -2.089 -7.645 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.480 -2.788 -8.992 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.910 -3.723 -10.396 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.438 -4.211 -8.751 1.00 0.00 H new ATOM 1425 N VAL A 98 3.427 -2.451 -8.299 1.00 0.00 N ATOM 1426 CA VAL A 98 4.632 -1.818 -7.690 1.00 0.00 C ATOM 1427 C VAL A 98 5.902 -2.659 -7.446 1.00 0.00 C ATOM 1428 O VAL A 98 6.866 -2.550 -8.179 1.00 0.00 O ATOM 1429 CB VAL A 98 4.122 -1.180 -6.347 1.00 0.00 C ATOM 1430 CG1 VAL A 98 5.260 -0.425 -5.647 1.00 0.00 C ATOM 1431 CG2 VAL A 98 2.998 -0.137 -6.615 1.00 0.00 C ATOM 0 H VAL A 98 2.780 -2.830 -7.607 1.00 0.00 H new ATOM 0 HA VAL A 98 5.014 -1.122 -8.436 1.00 0.00 H new ATOM 0 HB VAL A 98 3.750 -1.998 -5.730 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.891 0.011 -4.719 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.073 -1.116 -5.425 1.00 0.00 H new ATOM 0 HG13 VAL A 98 5.626 0.368 -6.299 1.00 0.00 H new ATOM 0 HG21 VAL A 98 2.664 0.289 -5.669 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.384 0.657 -7.254 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.159 -0.626 -7.110 1.00 0.00 H new ATOM 1441 N PHE A 99 5.844 -3.502 -6.442 1.00 0.00 N ATOM 1442 CA PHE A 99 7.039 -4.362 -6.085 1.00 0.00 C ATOM 1443 C PHE A 99 7.314 -5.310 -7.245 1.00 0.00 C ATOM 1444 O PHE A 99 8.254 -5.070 -7.976 1.00 0.00 O ATOM 1445 CB PHE A 99 6.689 -5.081 -4.726 1.00 0.00 C ATOM 1446 CG PHE A 99 8.028 -5.415 -4.037 1.00 0.00 C ATOM 1447 CD1 PHE A 99 8.602 -4.443 -3.233 1.00 0.00 C ATOM 1448 CD2 PHE A 99 8.686 -6.622 -4.199 1.00 0.00 C ATOM 1449 CE1 PHE A 99 9.809 -4.657 -2.601 1.00 0.00 C ATOM 1450 CE2 PHE A 99 9.902 -6.836 -3.561 1.00 0.00 C ATOM 1451 CZ PHE A 99 10.460 -5.852 -2.764 1.00 0.00 C ATOM 0 H PHE A 99 5.025 -3.638 -5.849 1.00 0.00 H new ATOM 0 HA PHE A 99 7.959 -3.796 -5.935 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.080 -4.435 -4.093 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.111 -5.987 -4.906 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.094 -3.499 -3.099 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.256 -7.395 -4.819 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.240 -3.886 -1.980 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.415 -7.778 -3.688 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.406 -6.025 -2.272 1.00 0.00 H new ATOM 1461 N THR A 100 6.526 -6.340 -7.398 1.00 0.00 N ATOM 1462 CA THR A 100 6.679 -7.344 -8.528 1.00 0.00 C ATOM 1463 C THR A 100 7.373 -6.930 -9.830 1.00 0.00 C ATOM 1464 O THR A 100 7.992 -7.728 -10.507 1.00 0.00 O ATOM 1465 CB THR A 100 5.317 -7.864 -8.980 1.00 0.00 C ATOM 1466 OG1 THR A 100 4.338 -7.225 -8.178 1.00 0.00 O ATOM 1467 CG2 THR A 100 5.216 -9.357 -8.777 1.00 0.00 C ATOM 0 H THR A 100 5.749 -6.546 -6.770 1.00 0.00 H new ATOM 0 HA THR A 100 7.336 -8.063 -8.039 1.00 0.00 H new ATOM 0 HB THR A 100 5.173 -7.654 -10.040 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.831 -6.589 -8.725 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.236 -9.704 -9.106 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.992 -9.856 -9.357 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.347 -9.590 -7.720 1.00 0.00 H new ATOM 1475 N LYS A 101 7.194 -5.674 -10.123 1.00 0.00 N ATOM 1476 CA LYS A 101 7.759 -5.056 -11.342 1.00 0.00 C ATOM 1477 C LYS A 101 9.067 -4.236 -11.146 1.00 0.00 C ATOM 1478 O LYS A 101 9.995 -4.383 -11.918 1.00 0.00 O ATOM 1479 CB LYS A 101 6.702 -4.121 -11.937 1.00 0.00 C ATOM 1480 CG LYS A 101 5.402 -4.835 -12.375 1.00 0.00 C ATOM 1481 CD LYS A 101 5.604 -5.449 -13.778 1.00 0.00 C ATOM 1482 CE LYS A 101 4.240 -5.645 -14.463 1.00 0.00 C ATOM 1483 NZ LYS A 101 3.451 -6.660 -13.703 1.00 0.00 N ATOM 0 H LYS A 101 6.658 -5.030 -9.541 1.00 0.00 H new ATOM 0 HA LYS A 101 8.027 -5.889 -11.992 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.453 -3.356 -11.201 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.130 -3.608 -12.798 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.142 -5.614 -11.658 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.573 -4.128 -12.391 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.235 -4.797 -14.383 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.121 -6.405 -13.696 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.699 -4.699 -14.500 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.380 -5.973 -15.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.959 -7.288 -14.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.091 -7.222 -13.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.752 -6.178 -13.102 1.00 0.00 H new ATOM 1497 N ILE A 102 9.119 -3.392 -10.141 1.00 0.00 N ATOM 1498 CA ILE A 102 10.367 -2.568 -9.917 1.00 0.00 C ATOM 1499 C ILE A 102 11.469 -3.356 -9.200 1.00 0.00 C ATOM 1500 O ILE A 102 12.629 -2.987 -9.260 1.00 0.00 O ATOM 1501 CB ILE A 102 10.004 -1.299 -9.069 1.00 0.00 C ATOM 1502 CG1 ILE A 102 9.695 -1.724 -7.582 1.00 0.00 C ATOM 1503 CG2 ILE A 102 8.818 -0.550 -9.722 1.00 0.00 C ATOM 1504 CD1 ILE A 102 9.103 -0.577 -6.743 1.00 0.00 C ATOM 0 H ILE A 102 8.366 -3.234 -9.471 1.00 0.00 H new ATOM 0 HA ILE A 102 10.752 -2.283 -10.896 1.00 0.00 H new ATOM 0 HB ILE A 102 10.850 -0.612 -9.046 1.00 0.00 H new ATOM 0 HG12 ILE A 102 8.998 -2.562 -7.586 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.613 -2.076 -7.111 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.572 0.330 -9.128 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.094 -0.241 -10.730 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.952 -1.210 -9.769 1.00 0.00 H new ATOM 0 HD11 ILE A 102 8.911 -0.929 -5.729 1.00 0.00 H new ATOM 0 HD12 ILE A 102 9.809 0.253 -6.711 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.169 -0.241 -7.193 1.00 0.00 H new ATOM 1516 N ASP A 103 11.060 -4.410 -8.555 1.00 0.00 N ATOM 1517 CA ASP A 103 12.005 -5.269 -7.808 1.00 0.00 C ATOM 1518 C ASP A 103 12.745 -6.228 -8.779 1.00 0.00 C ATOM 1519 O ASP A 103 12.701 -7.435 -8.669 1.00 0.00 O ATOM 1520 CB ASP A 103 11.093 -5.962 -6.746 1.00 0.00 C ATOM 1521 CG ASP A 103 11.860 -6.984 -5.919 1.00 0.00 C ATOM 1522 OD1 ASP A 103 12.782 -6.568 -5.232 1.00 0.00 O ATOM 1523 OD2 ASP A 103 11.475 -8.138 -6.012 1.00 0.00 O ATOM 0 H ASP A 103 10.088 -4.715 -8.516 1.00 0.00 H new ATOM 0 HA ASP A 103 12.822 -4.742 -7.315 1.00 0.00 H new ATOM 0 HB2 ASP A 103 10.667 -5.207 -6.086 1.00 0.00 H new ATOM 0 HB3 ASP A 103 10.260 -6.453 -7.248 1.00 0.00 H new ATOM 1528 N THR A 104 13.440 -5.678 -9.748 1.00 0.00 N ATOM 1529 CA THR A 104 14.194 -6.551 -10.724 1.00 0.00 C ATOM 1530 C THR A 104 15.634 -6.830 -10.226 1.00 0.00 C ATOM 1531 O THR A 104 16.568 -7.086 -10.967 1.00 0.00 O ATOM 1532 CB THR A 104 14.215 -5.866 -12.143 1.00 0.00 C ATOM 1533 OG1 THR A 104 14.337 -4.457 -11.993 1.00 0.00 O ATOM 1534 CG2 THR A 104 12.860 -5.971 -12.825 1.00 0.00 C ATOM 0 H THR A 104 13.521 -4.674 -9.910 1.00 0.00 H new ATOM 0 HA THR A 104 13.682 -7.510 -10.801 1.00 0.00 H new ATOM 0 HB THR A 104 15.024 -6.347 -12.694 1.00 0.00 H new ATOM 0 HG1 THR A 104 14.352 -4.034 -12.877 1.00 0.00 H new ATOM 0 HG21 THR A 104 12.906 -5.489 -13.802 1.00 0.00 H new ATOM 0 HG22 THR A 104 12.596 -7.021 -12.950 1.00 0.00 H new ATOM 0 HG23 THR A 104 12.105 -5.478 -12.213 1.00 0.00 H new ATOM 1542 N ASN A 105 15.713 -6.776 -8.920 1.00 0.00 N ATOM 1543 CA ASN A 105 16.975 -7.004 -8.148 1.00 0.00 C ATOM 1544 C ASN A 105 16.886 -8.335 -7.369 1.00 0.00 C ATOM 1545 O ASN A 105 17.785 -9.147 -7.432 1.00 0.00 O ATOM 1546 CB ASN A 105 17.199 -5.808 -7.159 1.00 0.00 C ATOM 1547 CG ASN A 105 15.949 -5.516 -6.358 1.00 0.00 C ATOM 1548 OD1 ASN A 105 15.235 -4.580 -6.630 1.00 0.00 O ATOM 1549 ND2 ASN A 105 15.630 -6.285 -5.369 1.00 0.00 N ATOM 0 H ASN A 105 14.909 -6.572 -8.327 1.00 0.00 H new ATOM 0 HA ASN A 105 17.818 -7.063 -8.837 1.00 0.00 H new ATOM 0 HB2 ASN A 105 18.021 -6.042 -6.482 1.00 0.00 H new ATOM 0 HB3 ASN A 105 17.490 -4.920 -7.719 1.00 0.00 H new ATOM 0 HD21 ASN A 105 14.785 -6.098 -4.830 1.00 0.00 H new ATOM 0 HD22 ASN A 105 16.224 -7.079 -5.128 1.00 0.00 H new ATOM 1556 N GLY A 106 15.814 -8.518 -6.639 1.00 0.00 N ATOM 1557 CA GLY A 106 15.612 -9.765 -5.843 1.00 0.00 C ATOM 1558 C GLY A 106 15.876 -9.550 -4.364 1.00 0.00 C ATOM 1559 O GLY A 106 15.019 -9.808 -3.545 1.00 0.00 O ATOM 0 H GLY A 106 15.056 -7.840 -6.561 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.591 -10.120 -5.980 1.00 0.00 H new ATOM 0 HA3 GLY A 106 16.274 -10.545 -6.219 1.00 0.00 H new ATOM 1563 N ILE A 107 17.062 -9.074 -4.060 1.00 0.00 N ATOM 1564 CA ILE A 107 17.508 -8.809 -2.649 1.00 0.00 C ATOM 1565 C ILE A 107 16.379 -8.450 -1.673 1.00 0.00 C ATOM 1566 O ILE A 107 16.137 -9.155 -0.712 1.00 0.00 O ATOM 1567 CB ILE A 107 18.570 -7.676 -2.688 1.00 0.00 C ATOM 1568 CG1 ILE A 107 19.708 -7.925 -3.738 1.00 0.00 C ATOM 1569 CG2 ILE A 107 19.198 -7.535 -1.271 1.00 0.00 C ATOM 1570 CD1 ILE A 107 20.217 -9.373 -3.673 1.00 0.00 C ATOM 0 H ILE A 107 17.768 -8.849 -4.761 1.00 0.00 H new ATOM 0 HA ILE A 107 17.920 -9.740 -2.261 1.00 0.00 H new ATOM 0 HB ILE A 107 18.060 -6.762 -2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 107 19.335 -7.713 -4.740 1.00 0.00 H new ATOM 0 HG13 ILE A 107 20.534 -7.238 -3.553 1.00 0.00 H new ATOM 0 HG21 ILE A 107 19.946 -6.743 -1.282 1.00 0.00 H new ATOM 0 HG22 ILE A 107 18.418 -7.288 -0.550 1.00 0.00 H new ATOM 0 HG23 ILE A 107 19.670 -8.476 -0.987 1.00 0.00 H new ATOM 0 HD11 ILE A 107 21.005 -9.515 -4.412 1.00 0.00 H new ATOM 0 HD12 ILE A 107 20.612 -9.575 -2.678 1.00 0.00 H new ATOM 0 HD13 ILE A 107 19.395 -10.057 -3.883 1.00 0.00 H new ATOM 1582 N GLY A 108 15.729 -7.356 -1.952 1.00 0.00 N ATOM 1583 CA GLY A 108 14.599 -6.903 -1.072 1.00 0.00 C ATOM 1584 C GLY A 108 13.738 -8.076 -0.563 1.00 0.00 C ATOM 1585 O GLY A 108 13.482 -8.206 0.617 1.00 0.00 O ATOM 0 H GLY A 108 15.926 -6.751 -2.749 1.00 0.00 H new ATOM 0 HA2 GLY A 108 15.003 -6.357 -0.220 1.00 0.00 H new ATOM 0 HA3 GLY A 108 13.968 -6.208 -1.626 1.00 0.00 H new ATOM 1589 N TYR A 109 13.353 -8.899 -1.499 1.00 0.00 N ATOM 1590 CA TYR A 109 12.503 -10.087 -1.221 1.00 0.00 C ATOM 1591 C TYR A 109 13.101 -11.036 -0.144 1.00 0.00 C ATOM 1592 O TYR A 109 12.387 -11.661 0.611 1.00 0.00 O ATOM 1593 CB TYR A 109 12.312 -10.777 -2.586 1.00 0.00 C ATOM 1594 CG TYR A 109 10.990 -11.566 -2.565 1.00 0.00 C ATOM 1595 CD1 TYR A 109 10.917 -12.856 -2.081 1.00 0.00 C ATOM 1596 CD2 TYR A 109 9.833 -10.964 -3.021 1.00 0.00 C ATOM 1597 CE1 TYR A 109 9.704 -13.529 -2.054 1.00 0.00 C ATOM 1598 CE2 TYR A 109 8.630 -11.638 -2.991 1.00 0.00 C ATOM 1599 CZ TYR A 109 8.561 -12.916 -2.509 1.00 0.00 C ATOM 1600 OH TYR A 109 7.344 -13.557 -2.478 1.00 0.00 O ATOM 0 H TYR A 109 13.604 -8.790 -2.482 1.00 0.00 H new ATOM 0 HA TYR A 109 11.549 -9.790 -0.785 1.00 0.00 H new ATOM 0 HB2 TYR A 109 12.296 -10.035 -3.384 1.00 0.00 H new ATOM 0 HB3 TYR A 109 13.147 -11.447 -2.790 1.00 0.00 H new ATOM 0 HD1 TYR A 109 11.810 -13.345 -1.721 1.00 0.00 H new ATOM 0 HD2 TYR A 109 9.871 -9.955 -3.405 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.658 -14.539 -1.674 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.735 -11.152 -3.351 1.00 0.00 H new ATOM 0 HH TYR A 109 6.667 -12.956 -2.103 1.00 0.00 H new ATOM 1610 N GLN A 110 14.404 -11.111 -0.102 1.00 0.00 N ATOM 1611 CA GLN A 110 15.113 -11.991 0.881 1.00 0.00 C ATOM 1612 C GLN A 110 15.283 -11.266 2.237 1.00 0.00 C ATOM 1613 O GLN A 110 15.319 -11.909 3.272 1.00 0.00 O ATOM 1614 CB GLN A 110 16.478 -12.365 0.251 1.00 0.00 C ATOM 1615 CG GLN A 110 17.042 -13.642 0.956 1.00 0.00 C ATOM 1616 CD GLN A 110 16.274 -14.919 0.586 1.00 0.00 C ATOM 1617 OE1 GLN A 110 16.535 -15.989 1.085 1.00 0.00 O ATOM 1618 NE2 GLN A 110 15.315 -14.893 -0.282 1.00 0.00 N ATOM 0 H GLN A 110 15.024 -10.588 -0.721 1.00 0.00 H new ATOM 0 HA GLN A 110 14.539 -12.894 1.088 1.00 0.00 H new ATOM 0 HB2 GLN A 110 16.360 -12.548 -0.817 1.00 0.00 H new ATOM 0 HB3 GLN A 110 17.179 -11.537 0.358 1.00 0.00 H new ATOM 0 HG2 GLN A 110 18.091 -13.765 0.688 1.00 0.00 H new ATOM 0 HG3 GLN A 110 17.003 -13.501 2.036 1.00 0.00 H new ATOM 0 HE21 GLN A 110 15.057 -14.014 -0.731 1.00 0.00 H new ATOM 0 HE22 GLN A 110 14.817 -15.751 -0.517 1.00 0.00 H new ATOM 1627 N GLN A 111 15.390 -9.963 2.188 1.00 0.00 N ATOM 1628 CA GLN A 111 15.543 -9.194 3.468 1.00 0.00 C ATOM 1629 C GLN A 111 14.084 -8.847 3.905 1.00 0.00 C ATOM 1630 O GLN A 111 13.188 -9.651 3.726 1.00 0.00 O ATOM 1631 CB GLN A 111 16.424 -7.913 3.182 1.00 0.00 C ATOM 1632 CG GLN A 111 16.924 -7.261 4.542 1.00 0.00 C ATOM 1633 CD GLN A 111 17.813 -6.033 4.303 1.00 0.00 C ATOM 1634 OE1 GLN A 111 17.549 -5.165 3.505 1.00 0.00 O ATOM 1635 NE2 GLN A 111 18.899 -5.908 4.990 1.00 0.00 N ATOM 0 H GLN A 111 15.379 -9.403 1.336 1.00 0.00 H new ATOM 0 HA GLN A 111 16.048 -9.743 4.263 1.00 0.00 H new ATOM 0 HB2 GLN A 111 17.281 -8.185 2.566 1.00 0.00 H new ATOM 0 HB3 GLN A 111 15.843 -7.185 2.616 1.00 0.00 H new ATOM 0 HG2 GLN A 111 16.062 -6.972 5.143 1.00 0.00 H new ATOM 0 HG3 GLN A 111 17.479 -8.003 5.116 1.00 0.00 H new ATOM 0 HE21 GLN A 111 19.155 -6.621 5.673 1.00 0.00 H new ATOM 0 HE22 GLN A 111 19.501 -5.097 4.849 1.00 0.00 H new ATOM 1644 N GLY A 112 13.850 -7.691 4.463 1.00 0.00 N ATOM 1645 CA GLY A 112 12.454 -7.321 4.905 1.00 0.00 C ATOM 1646 C GLY A 112 11.883 -6.089 4.218 1.00 0.00 C ATOM 1647 O GLY A 112 10.692 -5.845 4.270 1.00 0.00 O ATOM 0 H GLY A 112 14.559 -6.979 4.637 1.00 0.00 H new ATOM 0 HA2 GLY A 112 11.791 -8.166 4.719 1.00 0.00 H new ATOM 0 HA3 GLY A 112 12.460 -7.152 5.982 1.00 0.00 H new ATOM 1651 N HIS A 113 12.741 -5.336 3.594 1.00 0.00 N ATOM 1652 CA HIS A 113 12.295 -4.089 2.887 1.00 0.00 C ATOM 1653 C HIS A 113 13.253 -3.721 1.762 1.00 0.00 C ATOM 1654 O HIS A 113 14.321 -4.281 1.613 1.00 0.00 O ATOM 1655 CB HIS A 113 12.245 -2.952 3.933 1.00 0.00 C ATOM 1656 CG HIS A 113 13.650 -2.797 4.503 1.00 0.00 C ATOM 1657 ND1 HIS A 113 14.613 -2.166 3.920 1.00 0.00 N ATOM 1658 CD2 HIS A 113 14.200 -3.273 5.676 1.00 0.00 C ATOM 1659 CE1 HIS A 113 15.677 -2.235 4.661 1.00 0.00 C ATOM 1660 NE2 HIS A 113 15.465 -2.914 5.761 1.00 0.00 N ATOM 0 H HIS A 113 13.742 -5.526 3.539 1.00 0.00 H new ATOM 0 HA HIS A 113 11.315 -4.250 2.439 1.00 0.00 H new ATOM 0 HB2 HIS A 113 11.912 -2.021 3.473 1.00 0.00 H new ATOM 0 HB3 HIS A 113 11.534 -3.189 4.724 1.00 0.00 H new ATOM 0 HD2 HIS A 113 13.671 -3.855 6.416 1.00 0.00 H new ATOM 0 HE1 HIS A 113 16.624 -1.786 4.401 1.00 0.00 H new ATOM 0 HE2 HIS A 113 16.126 -3.118 6.510 1.00 0.00 H new ATOM 1668 N LEU A 114 12.813 -2.770 0.999 1.00 0.00 N ATOM 1669 CA LEU A 114 13.623 -2.262 -0.141 1.00 0.00 C ATOM 1670 C LEU A 114 13.820 -0.743 0.054 1.00 0.00 C ATOM 1671 O LEU A 114 13.160 -0.096 0.850 1.00 0.00 O ATOM 1672 CB LEU A 114 12.869 -2.602 -1.451 1.00 0.00 C ATOM 1673 CG LEU A 114 13.636 -2.144 -2.736 1.00 0.00 C ATOM 1674 CD1 LEU A 114 15.083 -2.697 -2.767 1.00 0.00 C ATOM 1675 CD2 LEU A 114 12.936 -2.804 -3.926 1.00 0.00 C ATOM 0 H LEU A 114 11.909 -2.312 1.116 1.00 0.00 H new ATOM 0 HA LEU A 114 14.609 -2.724 -0.192 1.00 0.00 H new ATOM 0 HB2 LEU A 114 12.702 -3.678 -1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 114 11.888 -2.128 -1.432 1.00 0.00 H new ATOM 0 HG LEU A 114 13.650 -1.054 -2.760 1.00 0.00 H new ATOM 0 HD11 LEU A 114 15.583 -2.357 -3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 114 15.629 -2.337 -1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 114 15.056 -3.787 -2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 114 13.437 -2.514 -4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 114 12.976 -3.888 -3.817 1.00 0.00 H new ATOM 0 HD23 LEU A 114 11.895 -2.481 -3.961 1.00 0.00 H new ATOM 1687 N ASN A 115 14.739 -0.237 -0.714 1.00 0.00 N ATOM 1688 CA ASN A 115 15.110 1.198 -0.700 1.00 0.00 C ATOM 1689 C ASN A 115 14.400 1.846 -1.899 1.00 0.00 C ATOM 1690 O ASN A 115 14.892 1.813 -3.014 1.00 0.00 O ATOM 1691 CB ASN A 115 16.625 1.218 -0.807 1.00 0.00 C ATOM 1692 CG ASN A 115 17.067 2.649 -0.746 1.00 0.00 C ATOM 1693 OD1 ASN A 115 17.599 3.126 0.227 1.00 0.00 O ATOM 1694 ND2 ASN A 115 16.859 3.404 -1.769 1.00 0.00 N ATOM 0 H ASN A 115 15.273 -0.791 -1.384 1.00 0.00 H new ATOM 0 HA ASN A 115 14.814 1.751 0.192 1.00 0.00 H new ATOM 0 HB2 ASN A 115 17.073 0.644 0.004 1.00 0.00 H new ATOM 0 HB3 ASN A 115 16.949 0.757 -1.740 1.00 0.00 H new ATOM 0 HD21 ASN A 115 17.142 4.384 -1.746 1.00 0.00 H new ATOM 0 HD22 ASN A 115 16.411 3.022 -2.602 1.00 0.00 H new ATOM 1701 N VAL A 116 13.267 2.430 -1.622 1.00 0.00 N ATOM 1702 CA VAL A 116 12.479 3.082 -2.733 1.00 0.00 C ATOM 1703 C VAL A 116 12.163 4.571 -2.517 1.00 0.00 C ATOM 1704 O VAL A 116 12.329 5.114 -1.437 1.00 0.00 O ATOM 1705 CB VAL A 116 11.117 2.305 -2.914 1.00 0.00 C ATOM 1706 CG1 VAL A 116 11.296 0.757 -3.041 1.00 0.00 C ATOM 1707 CG2 VAL A 116 10.264 2.534 -1.637 1.00 0.00 C ATOM 0 H VAL A 116 12.849 2.490 -0.694 1.00 0.00 H new ATOM 0 HA VAL A 116 13.114 3.030 -3.618 1.00 0.00 H new ATOM 0 HB VAL A 116 10.659 2.680 -3.829 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.320 0.287 -3.163 1.00 0.00 H new ATOM 0 HG12 VAL A 116 11.918 0.533 -3.908 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.775 0.371 -2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 116 9.315 2.007 -1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.802 2.155 -0.768 1.00 0.00 H new ATOM 0 HG23 VAL A 116 10.076 3.600 -1.511 1.00 0.00 H new ATOM 1717 N ASN A 117 11.707 5.160 -3.595 1.00 0.00 N ATOM 1718 CA ASN A 117 11.321 6.602 -3.607 1.00 0.00 C ATOM 1719 C ASN A 117 9.917 6.643 -4.268 1.00 0.00 C ATOM 1720 O ASN A 117 9.681 5.914 -5.219 1.00 0.00 O ATOM 1721 CB ASN A 117 12.357 7.386 -4.440 1.00 0.00 C ATOM 1722 CG ASN A 117 13.765 7.216 -3.886 1.00 0.00 C ATOM 1723 OD1 ASN A 117 14.027 6.958 -2.738 1.00 0.00 O ATOM 1724 ND2 ASN A 117 14.765 7.361 -4.677 1.00 0.00 N ATOM 0 H ASN A 117 11.584 4.687 -4.490 1.00 0.00 H new ATOM 0 HA ASN A 117 11.295 7.050 -2.614 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.328 7.043 -5.474 1.00 0.00 H new ATOM 0 HB3 ASN A 117 12.094 8.444 -4.448 1.00 0.00 H new ATOM 0 HD21 ASN A 117 15.715 7.257 -4.322 1.00 0.00 H new ATOM 0 HD22 ASN A 117 14.609 7.580 -5.661 1.00 0.00 H new ATOM 1731 N TYR A 118 9.007 7.457 -3.801 1.00 0.00 N ATOM 1732 CA TYR A 118 7.664 7.467 -4.468 1.00 0.00 C ATOM 1733 C TYR A 118 7.113 8.881 -4.507 1.00 0.00 C ATOM 1734 O TYR A 118 7.371 9.688 -3.628 1.00 0.00 O ATOM 1735 CB TYR A 118 6.730 6.496 -3.697 1.00 0.00 C ATOM 1736 CG TYR A 118 6.592 6.889 -2.218 1.00 0.00 C ATOM 1737 CD1 TYR A 118 5.753 7.904 -1.779 1.00 0.00 C ATOM 1738 CD2 TYR A 118 7.349 6.202 -1.298 1.00 0.00 C ATOM 1739 CE1 TYR A 118 5.694 8.207 -0.427 1.00 0.00 C ATOM 1740 CE2 TYR A 118 7.290 6.505 0.039 1.00 0.00 C ATOM 1741 CZ TYR A 118 6.468 7.504 0.477 1.00 0.00 C ATOM 1742 OH TYR A 118 6.439 7.806 1.817 1.00 0.00 O ATOM 0 H TYR A 118 9.124 8.096 -3.015 1.00 0.00 H new ATOM 0 HA TYR A 118 7.742 7.129 -5.501 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.746 6.491 -4.165 1.00 0.00 H new ATOM 0 HB3 TYR A 118 7.122 5.481 -3.768 1.00 0.00 H new ATOM 0 HD1 TYR A 118 5.150 8.454 -2.486 1.00 0.00 H new ATOM 0 HD2 TYR A 118 8.002 5.410 -1.634 1.00 0.00 H new ATOM 0 HE1 TYR A 118 5.042 8.994 -0.080 1.00 0.00 H new ATOM 0 HE2 TYR A 118 7.893 5.954 0.745 1.00 0.00 H new ATOM 0 HH TYR A 118 5.597 8.260 2.032 1.00 0.00 H new ATOM 1752 N GLN A 119 6.364 9.147 -5.531 1.00 0.00 N ATOM 1753 CA GLN A 119 5.783 10.516 -5.667 1.00 0.00 C ATOM 1754 C GLN A 119 4.296 10.497 -6.032 1.00 0.00 C ATOM 1755 O GLN A 119 3.869 9.645 -6.793 1.00 0.00 O ATOM 1756 CB GLN A 119 6.560 11.260 -6.769 1.00 0.00 C ATOM 1757 CG GLN A 119 8.100 11.234 -6.537 1.00 0.00 C ATOM 1758 CD GLN A 119 8.469 12.187 -5.423 1.00 0.00 C ATOM 1759 OE1 GLN A 119 8.386 13.382 -5.592 1.00 0.00 O ATOM 1760 NE2 GLN A 119 8.869 11.737 -4.275 1.00 0.00 N ATOM 0 H GLN A 119 6.127 8.490 -6.275 1.00 0.00 H new ATOM 0 HA GLN A 119 5.870 11.015 -4.702 1.00 0.00 H new ATOM 0 HB2 GLN A 119 6.334 10.809 -7.735 1.00 0.00 H new ATOM 0 HB3 GLN A 119 6.220 12.295 -6.813 1.00 0.00 H new ATOM 0 HG2 GLN A 119 8.421 10.224 -6.284 1.00 0.00 H new ATOM 0 HG3 GLN A 119 8.619 11.514 -7.454 1.00 0.00 H new ATOM 0 HE21 GLN A 119 8.943 10.732 -4.119 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.109 12.388 -3.528 1.00 0.00 H new ATOM 1769 N PHE A 120 3.539 11.420 -5.492 1.00 0.00 N ATOM 1770 CA PHE A 120 2.087 11.420 -5.869 1.00 0.00 C ATOM 1771 C PHE A 120 2.027 11.976 -7.320 1.00 0.00 C ATOM 1772 O PHE A 120 2.531 13.037 -7.640 1.00 0.00 O ATOM 1773 CB PHE A 120 1.295 12.327 -4.918 1.00 0.00 C ATOM 1774 CG PHE A 120 1.029 11.605 -3.587 1.00 0.00 C ATOM 1775 CD1 PHE A 120 2.047 11.087 -2.804 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -0.272 11.465 -3.159 1.00 0.00 C ATOM 1777 CE1 PHE A 120 1.771 10.442 -1.617 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -0.554 10.819 -1.971 1.00 0.00 C ATOM 1779 CZ PHE A 120 0.471 10.304 -1.198 1.00 0.00 C ATOM 0 H PHE A 120 3.841 12.142 -4.838 1.00 0.00 H new ATOM 0 HA PHE A 120 1.653 10.422 -5.804 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.851 13.247 -4.735 1.00 0.00 H new ATOM 0 HB3 PHE A 120 0.350 12.612 -5.380 1.00 0.00 H new ATOM 0 HD1 PHE A 120 3.072 11.190 -3.128 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.078 11.863 -3.757 1.00 0.00 H new ATOM 0 HE1 PHE A 120 2.577 10.046 -1.017 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.578 10.716 -1.645 1.00 0.00 H new ATOM 0 HZ PHE A 120 0.250 9.797 -0.271 1.00 0.00 H new ATOM 1789 N VAL A 121 1.389 11.202 -8.150 1.00 0.00 N ATOM 1790 CA VAL A 121 1.227 11.542 -9.596 1.00 0.00 C ATOM 1791 C VAL A 121 -0.227 11.324 -10.044 1.00 0.00 C ATOM 1792 O VAL A 121 -0.933 10.468 -9.542 1.00 0.00 O ATOM 1793 CB VAL A 121 2.250 10.627 -10.343 1.00 0.00 C ATOM 1794 CG1 VAL A 121 1.626 9.717 -11.426 1.00 0.00 C ATOM 1795 CG2 VAL A 121 3.374 11.463 -10.971 1.00 0.00 C ATOM 0 H VAL A 121 0.958 10.318 -7.880 1.00 0.00 H new ATOM 0 HA VAL A 121 1.428 12.591 -9.814 1.00 0.00 H new ATOM 0 HB VAL A 121 2.648 9.966 -9.573 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.408 9.118 -11.892 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.889 9.058 -10.967 1.00 0.00 H new ATOM 0 HG13 VAL A 121 1.141 10.333 -12.183 1.00 0.00 H new ATOM 0 HG21 VAL A 121 4.074 10.804 -11.485 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.948 12.168 -11.685 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.900 12.011 -10.189 1.00 0.00 H new ATOM 1805 N ASP A 122 -0.684 12.120 -10.966 1.00 0.00 N ATOM 1806 CA ASP A 122 -2.087 11.890 -11.401 1.00 0.00 C ATOM 1807 C ASP A 122 -2.049 10.884 -12.572 1.00 0.00 C ATOM 1808 O ASP A 122 -1.024 10.673 -13.199 1.00 0.00 O ATOM 1809 CB ASP A 122 -2.698 13.221 -11.802 1.00 0.00 C ATOM 1810 CG ASP A 122 -4.185 13.003 -12.035 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -4.879 12.956 -11.021 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -4.515 12.896 -13.202 1.00 0.00 O ATOM 0 H ASP A 122 -0.179 12.882 -11.418 1.00 0.00 H new ATOM 0 HA ASP A 122 -2.705 11.475 -10.604 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -2.539 13.964 -11.021 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -2.222 13.602 -12.706 1.00 0.00 H new ATOM 1817 N CYS A 123 -3.191 10.318 -12.819 1.00 0.00 N ATOM 1818 CA CYS A 123 -3.293 9.327 -13.916 1.00 0.00 C ATOM 1819 C CYS A 123 -3.646 9.927 -15.284 1.00 0.00 C ATOM 1820 O CYS A 123 -3.208 9.418 -16.294 1.00 0.00 O ATOM 1821 CB CYS A 123 -4.335 8.318 -13.471 1.00 0.00 C ATOM 1822 SG CYS A 123 -4.428 7.831 -11.731 1.00 0.00 S ATOM 0 H CYS A 123 -4.056 10.498 -12.310 1.00 0.00 H new ATOM 0 HA CYS A 123 -2.316 8.872 -14.080 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -5.311 8.714 -13.751 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -4.180 7.411 -14.055 1.00 0.00 H new ATOM 1827 N ARG A 124 -4.414 10.983 -15.247 1.00 0.00 N ATOM 1828 CA ARG A 124 -4.880 11.698 -16.477 1.00 0.00 C ATOM 1829 C ARG A 124 -5.450 10.623 -17.447 1.00 0.00 C ATOM 1830 O ARG A 124 -5.132 10.610 -18.619 1.00 0.00 O ATOM 1831 CB ARG A 124 -3.627 12.456 -17.032 1.00 0.00 C ATOM 1832 CG ARG A 124 -3.990 13.616 -18.011 1.00 0.00 C ATOM 1833 CD ARG A 124 -4.722 14.717 -17.222 1.00 0.00 C ATOM 1834 NE ARG A 124 -5.135 15.790 -18.195 1.00 0.00 N ATOM 1835 CZ ARG A 124 -4.930 17.037 -17.967 1.00 0.00 C ATOM 1836 NH1 ARG A 124 -5.500 17.519 -16.940 1.00 0.00 N ATOM 1837 NH2 ARG A 124 -4.193 17.719 -18.751 1.00 0.00 N ATOM 0 H ARG A 124 -4.752 11.397 -14.379 1.00 0.00 H new ATOM 0 HA ARG A 124 -5.673 12.427 -16.311 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -3.056 12.861 -16.196 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -2.979 11.746 -17.546 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -3.088 14.018 -18.472 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -4.622 13.246 -18.818 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -5.595 14.306 -16.715 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -4.071 15.131 -16.452 1.00 0.00 H new ATOM 0 HE ARG A 124 -5.593 15.517 -19.064 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -6.081 16.922 -16.351 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -5.377 18.504 -16.703 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -3.764 17.275 -19.563 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -4.032 18.709 -18.567 1.00 0.00 H new ATOM 1851 N ASP A 125 -6.286 9.775 -16.887 1.00 0.00 N ATOM 1852 CA ASP A 125 -6.969 8.639 -17.590 1.00 0.00 C ATOM 1853 C ASP A 125 -8.295 9.187 -18.199 1.00 0.00 C ATOM 1854 O ASP A 125 -8.399 9.068 -19.410 1.00 0.00 O ATOM 1855 CB ASP A 125 -7.182 7.516 -16.476 1.00 0.00 C ATOM 1856 CG ASP A 125 -7.442 6.086 -16.924 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -6.641 5.574 -17.696 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -8.431 5.570 -16.425 1.00 0.00 O ATOM 1859 OXT ASP A 125 -9.124 9.697 -17.455 1.00 0.00 O ATOM 0 H ASP A 125 -6.536 9.834 -15.900 1.00 0.00 H new ATOM 0 HA ASP A 125 -6.405 8.207 -18.417 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -6.296 7.508 -15.841 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -8.020 7.825 -15.851 1.00 0.00 H new