USER MOD reduce.3.24.130724 H: found=0, std=0, add=969, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 969 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 39 HIS : no HE2:sc= -0.0238 X(o=-0.043,f=0.25) USER MOD Set 1.2: A 109 TYR OH : rot 180:sc= -0.019 USER MOD Set 2.1: A 24 TYR OH : rot 14:sc= 0.643 USER MOD Set 2.2: A 105 SER OG : rot 180:sc= 0.6 USER MOD Set 3.1: A 29 CYS SG : rot 130:sc= -1 USER MOD Set 3.2: A 40 THR OG1 : rot 178:sc= 0.639 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 147:sc= 0.98 (180deg=0.389) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 6 ASN : amide:sc= -0.0148 X(o=-0.015,f=0) USER MOD Single : A 10 GLN :FLIP amide:sc= 0.13 F(o=-0.96,f=0.13) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 76:sc= -1.89 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 161:sc= -0.203 (180deg=-0.691) USER MOD Single : A 21 THR OG1 : rot 38:sc= 0.315 USER MOD Single : A 26 ASN : amide:sc= -0.22 X(o=-0.22,f=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot -36:sc= 0.777 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.813 F(o=-1.7!,f=-0.81) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 169:sc= -2.03 (180deg=-2.6) USER MOD Single : A 46 THR OG1 : rot 180:sc=-0.00581 USER MOD Single : A 53 SER OG : rot -147:sc= -0.977 USER MOD Single : A 58 ASN : amide:sc= 0.195 K(o=0.19,f=-2.4!) USER MOD Single : A 61 MET CE :methyl -119:sc= -0.254 (180deg=-1.22) USER MOD Single : A 62 THR OG1 : rot -168:sc= 0.184 USER MOD Single : A 68 ASN :FLIP amide:sc= -1.12 F(o=-1.7!,f=-1.1) USER MOD Single : A 73 LYS NZ :NH3+ -151:sc= -1.08 (180deg=-2.38!) USER MOD Single : A 79 CYS SG : rot 180:sc= -1.77! USER MOD Single : A 81 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.487 K(o=-0.49,f=-3.6!) USER MOD Single : A 93 MET CE :methyl 160:sc= -0.215 (180deg=-1.07) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 101 SER OG : rot -160:sc= 0 USER MOD Single : A 102 THR OG1 : rot 62:sc= 1.25 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -2.19 K(o=-2.2,f=-6.4!) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 126 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.061 -12.020 -15.413 1.00 0.00 N ATOM 2 CA MET A 1 -19.881 -10.756 -16.183 1.00 0.00 C ATOM 3 C MET A 1 -18.450 -10.668 -16.762 1.00 0.00 C ATOM 4 O MET A 1 -17.468 -10.732 -16.010 1.00 0.00 O ATOM 5 CB MET A 1 -20.180 -9.515 -15.297 1.00 0.00 C ATOM 6 CG MET A 1 -21.615 -9.442 -14.748 1.00 0.00 C ATOM 7 SD MET A 1 -22.012 -10.805 -13.628 1.00 0.00 S ATOM 8 CE MET A 1 -23.684 -10.392 -13.116 1.00 0.00 C ATOM 0 H1 MET A 1 -20.714 -11.854 -14.621 1.00 0.00 H new ATOM 0 H2 MET A 1 -20.453 -12.754 -16.037 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.142 -12.335 -15.043 1.00 0.00 H new ATOM 0 HA MET A 1 -20.592 -10.765 -17.009 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.485 -9.510 -14.458 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.983 -8.615 -15.879 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.750 -8.496 -14.223 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.318 -9.447 -15.581 1.00 0.00 H new ATOM 0 HE1 MET A 1 -24.050 -11.150 -12.424 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.684 -9.420 -12.623 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.334 -10.355 -13.990 1.00 0.00 H new ATOM 20 N GLY A 2 -18.343 -10.540 -18.100 1.00 0.00 N ATOM 21 CA GLY A 2 -17.045 -10.379 -18.764 1.00 0.00 C ATOM 22 C GLY A 2 -16.446 -8.977 -18.574 1.00 0.00 C ATOM 23 O GLY A 2 -16.947 -8.004 -19.149 1.00 0.00 O ATOM 0 H GLY A 2 -19.141 -10.546 -18.736 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -16.349 -11.122 -18.375 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -17.160 -10.578 -19.829 1.00 0.00 H new ATOM 27 N GLN A 3 -15.392 -8.877 -17.744 1.00 0.00 N ATOM 28 CA GLN A 3 -14.654 -7.614 -17.520 1.00 0.00 C ATOM 29 C GLN A 3 -13.801 -7.258 -18.766 1.00 0.00 C ATOM 30 O GLN A 3 -12.881 -8.002 -19.121 1.00 0.00 O ATOM 31 CB GLN A 3 -13.754 -7.737 -16.258 1.00 0.00 C ATOM 32 CG GLN A 3 -12.899 -6.482 -15.939 1.00 0.00 C ATOM 33 CD GLN A 3 -12.003 -6.639 -14.703 1.00 0.00 C ATOM 34 OE1 GLN A 3 -12.334 -7.350 -13.757 1.00 0.00 O ATOM 35 NE2 GLN A 3 -10.857 -5.981 -14.700 1.00 0.00 N ATOM 0 H GLN A 3 -15.026 -9.665 -17.210 1.00 0.00 H new ATOM 0 HA GLN A 3 -15.373 -6.811 -17.357 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -14.387 -7.955 -15.398 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -13.087 -8.589 -16.387 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -12.274 -6.251 -16.802 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -13.563 -5.631 -15.789 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -10.602 -5.396 -15.496 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -10.227 -6.058 -13.902 1.00 0.00 H new ATOM 44 N GLY A 4 -14.133 -6.130 -19.424 1.00 0.00 N ATOM 45 CA GLY A 4 -13.425 -5.683 -20.632 1.00 0.00 C ATOM 46 C GLY A 4 -12.146 -4.900 -20.319 1.00 0.00 C ATOM 47 O GLY A 4 -12.215 -3.761 -19.845 1.00 0.00 O ATOM 0 H GLY A 4 -14.891 -5.512 -19.135 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.173 -6.551 -21.241 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.091 -5.058 -21.227 1.00 0.00 H new ATOM 51 N GLN A 5 -10.976 -5.512 -20.584 1.00 0.00 N ATOM 52 CA GLN A 5 -9.665 -4.840 -20.430 1.00 0.00 C ATOM 53 C GLN A 5 -9.279 -4.152 -21.761 1.00 0.00 C ATOM 54 O GLN A 5 -9.568 -4.676 -22.845 1.00 0.00 O ATOM 55 CB GLN A 5 -8.568 -5.853 -19.984 1.00 0.00 C ATOM 56 CG GLN A 5 -8.294 -7.000 -20.985 1.00 0.00 C ATOM 57 CD GLN A 5 -7.161 -7.927 -20.540 1.00 0.00 C ATOM 58 OE1 GLN A 5 -5.998 -7.699 -20.849 1.00 0.00 O ATOM 59 NE2 GLN A 5 -7.486 -8.984 -19.826 1.00 0.00 N ATOM 0 H GLN A 5 -10.909 -6.477 -20.908 1.00 0.00 H new ATOM 0 HA GLN A 5 -9.744 -4.082 -19.650 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.639 -5.309 -19.815 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.862 -6.287 -19.028 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.204 -7.585 -21.116 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -8.046 -6.574 -21.957 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.461 -9.153 -19.581 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.762 -9.634 -19.518 1.00 0.00 H new ATOM 68 N ASN A 6 -8.636 -2.975 -21.678 1.00 0.00 N ATOM 69 CA ASN A 6 -8.315 -2.156 -22.867 1.00 0.00 C ATOM 70 C ASN A 6 -7.073 -1.264 -22.631 1.00 0.00 C ATOM 71 O ASN A 6 -7.041 -0.459 -21.694 1.00 0.00 O ATOM 72 CB ASN A 6 -9.558 -1.311 -23.290 1.00 0.00 C ATOM 73 CG ASN A 6 -10.136 -0.456 -22.156 1.00 0.00 C ATOM 74 OD1 ASN A 6 -9.817 0.715 -22.015 1.00 0.00 O ATOM 75 ND2 ASN A 6 -10.985 -1.048 -21.331 1.00 0.00 N ATOM 0 H ASN A 6 -8.326 -2.565 -20.797 1.00 0.00 H new ATOM 0 HA ASN A 6 -8.064 -2.830 -23.686 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -9.279 -0.660 -24.118 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -10.334 -1.982 -23.659 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -11.390 -0.525 -20.555 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -11.234 -2.027 -21.472 1.00 0.00 H new ATOM 82 N VAL A 7 -6.039 -1.464 -23.494 1.00 0.00 N ATOM 83 CA VAL A 7 -4.796 -0.653 -23.577 1.00 0.00 C ATOM 84 C VAL A 7 -4.044 -0.486 -22.204 1.00 0.00 C ATOM 85 O VAL A 7 -3.189 0.390 -22.039 1.00 0.00 O ATOM 86 CB VAL A 7 -5.067 0.747 -24.284 1.00 0.00 C ATOM 87 CG1 VAL A 7 -3.771 1.296 -24.920 1.00 0.00 C ATOM 88 CG2 VAL A 7 -6.193 0.659 -25.356 1.00 0.00 C ATOM 0 H VAL A 7 -6.051 -2.223 -24.175 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.111 -1.223 -24.204 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.406 1.434 -23.508 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.978 2.253 -25.398 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.015 1.432 -24.146 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.404 0.590 -25.665 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.341 1.639 -25.810 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.907 -0.058 -26.126 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.120 0.334 -24.884 1.00 0.00 H new ATOM 98 N LEU A 8 -4.336 -1.393 -21.252 1.00 0.00 N ATOM 99 CA LEU A 8 -3.762 -1.378 -19.881 1.00 0.00 C ATOM 100 C LEU A 8 -2.256 -1.773 -19.844 1.00 0.00 C ATOM 101 O LEU A 8 -1.553 -1.488 -18.869 1.00 0.00 O ATOM 102 CB LEU A 8 -4.589 -2.301 -18.951 1.00 0.00 C ATOM 103 CG LEU A 8 -4.422 -3.854 -19.106 1.00 0.00 C ATOM 104 CD1 LEU A 8 -5.224 -4.557 -18.014 1.00 0.00 C ATOM 105 CD2 LEU A 8 -4.836 -4.381 -20.499 1.00 0.00 C ATOM 0 H LEU A 8 -4.982 -2.166 -21.409 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.818 -0.350 -19.524 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.344 -2.041 -17.921 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.643 -2.063 -19.098 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.360 -4.076 -19.003 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.111 -5.636 -18.117 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.857 -4.246 -17.036 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.277 -4.292 -18.108 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.695 -5.461 -20.536 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.885 -4.146 -20.680 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.221 -3.908 -21.264 1.00 0.00 H new ATOM 117 N GLY A 9 -1.794 -2.433 -20.918 1.00 0.00 N ATOM 118 CA GLY A 9 -0.418 -2.927 -21.031 1.00 0.00 C ATOM 119 C GLY A 9 -0.320 -4.004 -22.113 1.00 0.00 C ATOM 120 O GLY A 9 -0.509 -5.199 -21.834 1.00 0.00 O ATOM 0 H GLY A 9 -2.370 -2.638 -21.735 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.252 -2.101 -21.270 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.092 -3.335 -20.074 1.00 0.00 H new ATOM 124 N GLN A 10 -0.050 -3.575 -23.363 1.00 0.00 N ATOM 125 CA GLN A 10 -0.104 -4.447 -24.559 1.00 0.00 C ATOM 126 C GLN A 10 0.773 -3.899 -25.708 1.00 0.00 C ATOM 127 O GLN A 10 1.549 -4.638 -26.324 1.00 0.00 O ATOM 128 CB GLN A 10 -1.581 -4.609 -25.049 1.00 0.00 C ATOM 129 CG GLN A 10 -2.351 -3.284 -25.267 1.00 0.00 C ATOM 130 CD GLN A 10 -3.711 -3.483 -25.933 1.00 0.00 C ATOM 131 OE1 GLN A 10 -4.739 -3.699 -25.146 1.00 0.00 O flip ATOM 132 NE2 GLN A 10 -3.830 -3.459 -27.150 1.00 0.00 N flip ATOM 0 H GLN A 10 0.212 -2.612 -23.574 1.00 0.00 H new ATOM 0 HA GLN A 10 0.291 -5.421 -24.270 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -1.577 -5.167 -25.985 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.125 -5.211 -24.321 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.493 -2.791 -24.305 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.747 -2.617 -25.881 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.015 -3.289 -27.739 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.745 -3.609 -27.576 1.00 0.00 H new ATOM 141 N ASP A 11 0.618 -2.606 -26.000 1.00 0.00 N ATOM 142 CA ASP A 11 1.306 -1.935 -27.115 1.00 0.00 C ATOM 143 C ASP A 11 2.708 -1.447 -26.644 1.00 0.00 C ATOM 144 O ASP A 11 3.174 -1.821 -25.563 1.00 0.00 O ATOM 145 CB ASP A 11 0.376 -0.777 -27.606 1.00 0.00 C ATOM 146 CG ASP A 11 0.801 -0.085 -28.912 1.00 0.00 C ATOM 147 OD1 ASP A 11 1.362 -0.754 -29.808 1.00 0.00 O ATOM 148 OD2 ASP A 11 0.595 1.136 -29.043 1.00 0.00 O ATOM 0 H ASP A 11 0.007 -1.986 -25.467 1.00 0.00 H new ATOM 0 HA ASP A 11 1.488 -2.607 -27.954 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.630 -1.176 -27.739 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.319 -0.024 -26.820 1.00 0.00 H new ATOM 153 N LEU A 12 3.412 -0.657 -27.467 1.00 0.00 N ATOM 154 CA LEU A 12 4.692 -0.048 -27.079 1.00 0.00 C ATOM 155 C LEU A 12 4.447 1.221 -26.215 1.00 0.00 C ATOM 156 O LEU A 12 4.618 2.356 -26.681 1.00 0.00 O ATOM 157 CB LEU A 12 5.581 0.267 -28.330 1.00 0.00 C ATOM 158 CG LEU A 12 6.065 -0.958 -29.197 1.00 0.00 C ATOM 159 CD1 LEU A 12 4.915 -1.609 -30.009 1.00 0.00 C ATOM 160 CD2 LEU A 12 7.236 -0.550 -30.125 1.00 0.00 C ATOM 0 H LEU A 12 3.113 -0.423 -28.414 1.00 0.00 H new ATOM 0 HA LEU A 12 5.243 -0.768 -26.474 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.023 0.941 -28.980 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.463 0.809 -27.990 1.00 0.00 H new ATOM 0 HG LEU A 12 6.422 -1.715 -28.498 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.306 -2.446 -30.587 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.145 -1.968 -29.326 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.484 -0.871 -30.686 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.552 -1.412 -30.713 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.909 0.246 -30.795 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.072 -0.196 -29.522 1.00 0.00 H new ATOM 172 N GLU A 13 3.980 1.006 -24.957 1.00 0.00 N ATOM 173 CA GLU A 13 3.909 2.068 -23.920 1.00 0.00 C ATOM 174 C GLU A 13 5.330 2.625 -23.653 1.00 0.00 C ATOM 175 O GLU A 13 5.545 3.841 -23.626 1.00 0.00 O ATOM 176 CB GLU A 13 3.265 1.536 -22.592 1.00 0.00 C ATOM 177 CG GLU A 13 1.720 1.384 -22.604 1.00 0.00 C ATOM 178 CD GLU A 13 1.171 0.315 -23.571 1.00 0.00 C ATOM 179 OE1 GLU A 13 1.461 -0.887 -23.363 1.00 0.00 O ATOM 180 OE2 GLU A 13 0.445 0.671 -24.530 1.00 0.00 O ATOM 0 H GLU A 13 3.644 0.098 -24.635 1.00 0.00 H new ATOM 0 HA GLU A 13 3.269 2.869 -24.290 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.705 0.566 -22.360 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.538 2.212 -21.782 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.387 1.143 -21.595 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.279 2.346 -22.864 1.00 0.00 H new ATOM 187 N VAL A 14 6.289 1.699 -23.475 1.00 0.00 N ATOM 188 CA VAL A 14 7.733 2.006 -23.424 1.00 0.00 C ATOM 189 C VAL A 14 8.534 0.807 -24.002 1.00 0.00 C ATOM 190 O VAL A 14 8.162 -0.358 -23.795 1.00 0.00 O ATOM 191 CB VAL A 14 8.209 2.362 -21.958 1.00 0.00 C ATOM 192 CG1 VAL A 14 8.105 1.150 -20.993 1.00 0.00 C ATOM 193 CG2 VAL A 14 9.636 2.975 -21.961 1.00 0.00 C ATOM 0 H VAL A 14 6.083 0.706 -23.361 1.00 0.00 H new ATOM 0 HA VAL A 14 7.922 2.890 -24.033 1.00 0.00 H new ATOM 0 HB VAL A 14 7.525 3.120 -21.577 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.443 1.446 -20.000 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.069 0.816 -20.939 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.730 0.337 -21.362 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.934 3.209 -20.939 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.338 2.260 -22.389 1.00 0.00 H new ATOM 0 HG23 VAL A 14 9.639 3.887 -22.557 1.00 0.00 H new ATOM 203 N CYS A 15 9.615 1.103 -24.749 1.00 0.00 N ATOM 204 CA CYS A 15 10.449 0.075 -25.413 1.00 0.00 C ATOM 205 C CYS A 15 11.921 0.514 -25.476 1.00 0.00 C ATOM 206 O CYS A 15 12.237 1.565 -26.039 1.00 0.00 O ATOM 207 CB CYS A 15 9.933 -0.239 -26.836 1.00 0.00 C ATOM 208 SG CYS A 15 10.839 -1.565 -27.670 1.00 0.00 S ATOM 0 H CYS A 15 9.936 2.057 -24.911 1.00 0.00 H new ATOM 0 HA CYS A 15 10.378 -0.832 -24.813 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.880 -0.513 -26.777 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.994 0.665 -27.441 1.00 0.00 H new ATOM 0 HG CYS A 15 10.335 -1.758 -28.853 1.00 0.00 H new ATOM 214 N CYS A 16 12.814 -0.310 -24.902 1.00 0.00 N ATOM 215 CA CYS A 16 14.270 -0.045 -24.878 1.00 0.00 C ATOM 216 C CYS A 16 14.961 -0.531 -26.169 1.00 0.00 C ATOM 217 O CYS A 16 14.592 -1.562 -26.721 1.00 0.00 O ATOM 218 CB CYS A 16 14.913 -0.749 -23.666 1.00 0.00 C ATOM 219 SG CYS A 16 14.784 -2.552 -23.688 1.00 0.00 S ATOM 0 H CYS A 16 12.550 -1.180 -24.440 1.00 0.00 H new ATOM 0 HA CYS A 16 14.405 1.034 -24.802 1.00 0.00 H new ATOM 0 HB2 CYS A 16 15.967 -0.474 -23.619 1.00 0.00 H new ATOM 0 HB3 CYS A 16 14.445 -0.375 -22.755 1.00 0.00 H new ATOM 0 HG CYS A 16 15.634 -3.037 -24.544 1.00 0.00 H new ATOM 225 N CYS A 17 15.993 0.208 -26.623 1.00 0.00 N ATOM 226 CA CYS A 17 16.846 -0.206 -27.773 1.00 0.00 C ATOM 227 C CYS A 17 17.740 -1.433 -27.428 1.00 0.00 C ATOM 228 O CYS A 17 18.302 -2.067 -28.328 1.00 0.00 O ATOM 229 CB CYS A 17 17.721 0.980 -28.238 1.00 0.00 C ATOM 230 SG CYS A 17 16.777 2.401 -28.820 1.00 0.00 S ATOM 0 H CYS A 17 16.263 1.102 -26.212 1.00 0.00 H new ATOM 0 HA CYS A 17 16.181 -0.507 -28.583 1.00 0.00 H new ATOM 0 HB2 CYS A 17 18.359 1.294 -27.412 1.00 0.00 H new ATOM 0 HB3 CYS A 17 18.379 0.641 -29.038 1.00 0.00 H new ATOM 0 HG CYS A 17 17.594 3.344 -29.186 1.00 0.00 H new ATOM 236 N ALA A 18 17.877 -1.737 -26.117 1.00 0.00 N ATOM 237 CA ALA A 18 18.639 -2.906 -25.623 1.00 0.00 C ATOM 238 C ALA A 18 17.970 -4.250 -26.040 1.00 0.00 C ATOM 239 O ALA A 18 16.763 -4.432 -25.805 1.00 0.00 O ATOM 240 CB ALA A 18 18.790 -2.830 -24.092 1.00 0.00 C ATOM 0 H ALA A 18 17.462 -1.178 -25.372 1.00 0.00 H new ATOM 0 HA ALA A 18 19.627 -2.879 -26.082 1.00 0.00 H new ATOM 0 HB1 ALA A 18 19.352 -3.694 -23.738 1.00 0.00 H new ATOM 0 HB2 ALA A 18 19.322 -1.917 -23.824 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.803 -2.825 -23.629 1.00 0.00 H new ATOM 246 N PRO A 19 18.748 -5.200 -26.675 1.00 0.00 N ATOM 247 CA PRO A 19 18.251 -6.565 -27.054 1.00 0.00 C ATOM 248 C PRO A 19 17.611 -7.359 -25.880 1.00 0.00 C ATOM 249 O PRO A 19 17.955 -7.121 -24.712 1.00 0.00 O ATOM 250 CB PRO A 19 19.537 -7.271 -27.563 1.00 0.00 C ATOM 251 CG PRO A 19 20.405 -6.157 -28.059 1.00 0.00 C ATOM 252 CD PRO A 19 20.163 -5.007 -27.110 1.00 0.00 C ATOM 0 HA PRO A 19 17.446 -6.505 -27.786 1.00 0.00 H new ATOM 0 HB2 PRO A 19 20.026 -7.829 -26.765 1.00 0.00 H new ATOM 0 HB3 PRO A 19 19.311 -7.982 -28.358 1.00 0.00 H new ATOM 0 HG2 PRO A 19 21.455 -6.449 -28.063 1.00 0.00 H new ATOM 0 HG3 PRO A 19 20.147 -5.883 -29.082 1.00 0.00 H new ATOM 0 HD2 PRO A 19 20.850 -5.035 -26.264 1.00 0.00 H new ATOM 0 HD3 PRO A 19 20.303 -4.045 -27.603 1.00 0.00 H new ATOM 260 N MET A 20 16.708 -8.317 -26.224 1.00 0.00 N ATOM 261 CA MET A 20 15.894 -9.095 -25.247 1.00 0.00 C ATOM 262 C MET A 20 14.936 -8.180 -24.434 1.00 0.00 C ATOM 263 O MET A 20 14.837 -8.315 -23.211 1.00 0.00 O ATOM 264 CB MET A 20 16.789 -9.957 -24.290 1.00 0.00 C ATOM 265 CG MET A 20 17.519 -11.137 -24.940 1.00 0.00 C ATOM 266 SD MET A 20 18.525 -12.062 -23.750 1.00 0.00 S ATOM 267 CE MET A 20 17.302 -12.565 -22.529 1.00 0.00 C ATOM 0 H MET A 20 16.523 -8.573 -27.194 1.00 0.00 H new ATOM 0 HA MET A 20 15.282 -9.781 -25.832 1.00 0.00 H new ATOM 0 HB2 MET A 20 17.531 -9.304 -23.831 1.00 0.00 H new ATOM 0 HB3 MET A 20 16.162 -10.341 -23.485 1.00 0.00 H new ATOM 0 HG2 MET A 20 16.789 -11.807 -25.394 1.00 0.00 H new ATOM 0 HG3 MET A 20 18.157 -10.769 -25.743 1.00 0.00 H new ATOM 0 HE1 MET A 20 17.693 -13.397 -21.944 1.00 0.00 H new ATOM 0 HE2 MET A 20 17.083 -11.727 -21.867 1.00 0.00 H new ATOM 0 HE3 MET A 20 16.388 -12.876 -23.036 1.00 0.00 H new ATOM 277 N THR A 21 14.215 -7.274 -25.144 1.00 0.00 N ATOM 278 CA THR A 21 13.279 -6.290 -24.524 1.00 0.00 C ATOM 279 C THR A 21 12.254 -6.967 -23.565 1.00 0.00 C ATOM 280 O THR A 21 11.224 -7.497 -24.005 1.00 0.00 O ATOM 281 CB THR A 21 12.504 -5.458 -25.619 1.00 0.00 C ATOM 282 OG1 THR A 21 11.823 -6.332 -26.535 1.00 0.00 O ATOM 283 CG2 THR A 21 13.437 -4.535 -26.420 1.00 0.00 C ATOM 0 H THR A 21 14.263 -7.202 -26.160 1.00 0.00 H new ATOM 0 HA THR A 21 13.901 -5.615 -23.936 1.00 0.00 H new ATOM 0 HB THR A 21 11.783 -4.841 -25.083 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.454 -7.096 -26.045 1.00 0.00 H new ATOM 0 HG21 THR A 21 12.856 -3.984 -27.160 1.00 0.00 H new ATOM 0 HG22 THR A 21 13.922 -3.832 -25.743 1.00 0.00 H new ATOM 0 HG23 THR A 21 14.195 -5.134 -26.925 1.00 0.00 H new ATOM 291 N GLY A 22 12.566 -6.958 -22.255 1.00 0.00 N ATOM 292 CA GLY A 22 11.740 -7.623 -21.239 1.00 0.00 C ATOM 293 C GLY A 22 11.977 -7.069 -19.832 1.00 0.00 C ATOM 294 O GLY A 22 11.475 -5.988 -19.501 1.00 0.00 O ATOM 0 H GLY A 22 13.391 -6.493 -21.877 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.688 -7.507 -21.499 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.954 -8.692 -21.245 1.00 0.00 H new ATOM 298 N TRP A 23 12.754 -7.804 -19.011 1.00 0.00 N ATOM 299 CA TRP A 23 13.025 -7.448 -17.597 1.00 0.00 C ATOM 300 C TRP A 23 13.947 -6.199 -17.493 1.00 0.00 C ATOM 301 O TRP A 23 15.178 -6.324 -17.550 1.00 0.00 O ATOM 302 CB TRP A 23 13.645 -8.675 -16.863 1.00 0.00 C ATOM 303 CG TRP A 23 13.810 -8.511 -15.364 1.00 0.00 C ATOM 304 CD1 TRP A 23 12.821 -8.547 -14.421 1.00 0.00 C ATOM 305 CD2 TRP A 23 15.038 -8.302 -14.643 1.00 0.00 C ATOM 306 NE1 TRP A 23 13.357 -8.358 -13.172 1.00 0.00 N ATOM 307 CE2 TRP A 23 14.713 -8.210 -13.280 1.00 0.00 C ATOM 308 CE3 TRP A 23 16.380 -8.184 -15.023 1.00 0.00 C ATOM 309 CZ2 TRP A 23 15.676 -7.999 -12.293 1.00 0.00 C ATOM 310 CZ3 TRP A 23 17.340 -7.977 -14.045 1.00 0.00 C ATOM 311 CH2 TRP A 23 16.982 -7.888 -12.691 1.00 0.00 C ATOM 0 H TRP A 23 13.214 -8.665 -19.308 1.00 0.00 H new ATOM 0 HA TRP A 23 12.084 -7.186 -17.113 1.00 0.00 H new ATOM 0 HB2 TRP A 23 13.018 -9.546 -17.051 1.00 0.00 H new ATOM 0 HB3 TRP A 23 14.621 -8.885 -17.300 1.00 0.00 H new ATOM 0 HD1 TRP A 23 11.772 -8.701 -14.628 1.00 0.00 H new ATOM 0 HE1 TRP A 23 12.828 -8.332 -12.300 1.00 0.00 H new ATOM 0 HE3 TRP A 23 16.663 -8.253 -16.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 15.401 -7.926 -11.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 18.378 -7.883 -14.329 1.00 0.00 H new ATOM 0 HH2 TRP A 23 17.750 -7.729 -11.949 1.00 0.00 H new ATOM 322 N TYR A 24 13.310 -5.007 -17.379 1.00 0.00 N ATOM 323 CA TYR A 24 13.977 -3.678 -17.266 1.00 0.00 C ATOM 324 C TYR A 24 14.846 -3.330 -18.517 1.00 0.00 C ATOM 325 O TYR A 24 14.419 -2.520 -19.356 1.00 0.00 O ATOM 326 CB TYR A 24 14.788 -3.554 -15.939 1.00 0.00 C ATOM 327 CG TYR A 24 13.923 -3.599 -14.663 1.00 0.00 C ATOM 328 CD1 TYR A 24 13.359 -2.436 -14.122 1.00 0.00 C ATOM 329 CD2 TYR A 24 13.670 -4.803 -14.000 1.00 0.00 C ATOM 330 CE1 TYR A 24 12.582 -2.480 -12.973 1.00 0.00 C ATOM 331 CE2 TYR A 24 12.895 -4.850 -12.854 1.00 0.00 C ATOM 332 CZ TYR A 24 12.354 -3.689 -12.343 1.00 0.00 C ATOM 333 OH TYR A 24 11.580 -3.738 -11.200 1.00 0.00 O ATOM 0 H TYR A 24 12.293 -4.938 -17.362 1.00 0.00 H new ATOM 0 HA TYR A 24 13.182 -2.933 -17.233 1.00 0.00 H new ATOM 0 HB2 TYR A 24 15.520 -4.361 -15.897 1.00 0.00 H new ATOM 0 HB3 TYR A 24 15.346 -2.618 -15.953 1.00 0.00 H new ATOM 0 HD1 TYR A 24 13.532 -1.487 -14.608 1.00 0.00 H new ATOM 0 HD2 TYR A 24 14.089 -5.718 -14.391 1.00 0.00 H new ATOM 0 HE1 TYR A 24 12.157 -1.572 -12.572 1.00 0.00 H new ATOM 0 HE2 TYR A 24 12.714 -5.794 -12.361 1.00 0.00 H new ATOM 0 HH TYR A 24 11.095 -2.893 -11.097 1.00 0.00 H new ATOM 343 N ARG A 25 16.049 -3.953 -18.621 1.00 0.00 N ATOM 344 CA ARG A 25 16.976 -3.838 -19.787 1.00 0.00 C ATOM 345 C ARG A 25 17.617 -2.428 -19.913 1.00 0.00 C ATOM 346 O ARG A 25 18.789 -2.238 -19.574 1.00 0.00 O ATOM 347 CB ARG A 25 16.278 -4.282 -21.113 1.00 0.00 C ATOM 348 CG ARG A 25 15.907 -5.790 -21.185 1.00 0.00 C ATOM 349 CD ARG A 25 17.076 -6.687 -21.662 1.00 0.00 C ATOM 350 NE ARG A 25 18.268 -6.638 -20.794 1.00 0.00 N ATOM 351 CZ ARG A 25 19.521 -6.643 -21.209 1.00 0.00 C ATOM 352 NH1 ARG A 25 19.816 -6.610 -22.479 1.00 0.00 N ATOM 353 NH2 ARG A 25 20.467 -6.690 -20.334 1.00 0.00 N ATOM 0 H ARG A 25 16.412 -4.561 -17.886 1.00 0.00 H new ATOM 0 HA ARG A 25 17.800 -4.526 -19.599 1.00 0.00 H new ATOM 0 HB2 ARG A 25 15.370 -3.693 -21.243 1.00 0.00 H new ATOM 0 HB3 ARG A 25 16.935 -4.044 -21.950 1.00 0.00 H new ATOM 0 HG2 ARG A 25 15.581 -6.124 -20.200 1.00 0.00 H new ATOM 0 HG3 ARG A 25 15.062 -5.917 -21.861 1.00 0.00 H new ATOM 0 HD2 ARG A 25 16.727 -7.718 -21.723 1.00 0.00 H new ATOM 0 HD3 ARG A 25 17.362 -6.387 -22.670 1.00 0.00 H new ATOM 0 HE ARG A 25 18.110 -6.597 -19.787 1.00 0.00 H new ATOM 0 HH11 ARG A 25 19.071 -6.580 -23.175 1.00 0.00 H new ATOM 0 HH12 ARG A 25 20.792 -6.615 -22.776 1.00 0.00 H new ATOM 0 HH21 ARG A 25 20.241 -6.723 -19.340 1.00 0.00 H new ATOM 0 HH22 ARG A 25 21.441 -6.695 -20.636 1.00 0.00 H new ATOM 367 N ASN A 26 16.843 -1.447 -20.398 1.00 0.00 N ATOM 368 CA ASN A 26 17.287 -0.030 -20.523 1.00 0.00 C ATOM 369 C ASN A 26 16.047 0.919 -20.504 1.00 0.00 C ATOM 370 O ASN A 26 16.152 2.128 -20.755 1.00 0.00 O ATOM 371 CB ASN A 26 18.126 0.129 -21.831 1.00 0.00 C ATOM 372 CG ASN A 26 18.959 1.409 -21.876 1.00 0.00 C ATOM 373 OD1 ASN A 26 20.100 1.434 -21.441 1.00 0.00 O ATOM 374 ND2 ASN A 26 18.401 2.480 -22.396 1.00 0.00 N ATOM 0 H ASN A 26 15.887 -1.603 -20.718 1.00 0.00 H new ATOM 0 HA ASN A 26 17.919 0.245 -19.679 1.00 0.00 H new ATOM 0 HB2 ASN A 26 18.790 -0.729 -21.933 1.00 0.00 H new ATOM 0 HB3 ASN A 26 17.453 0.114 -22.688 1.00 0.00 H new ATOM 0 HD21 ASN A 26 18.923 3.355 -22.442 1.00 0.00 H new ATOM 0 HD22 ASN A 26 17.447 2.435 -22.753 1.00 0.00 H new ATOM 381 N GLY A 27 14.871 0.347 -20.165 1.00 0.00 N ATOM 382 CA GLY A 27 13.587 1.066 -20.182 1.00 0.00 C ATOM 383 C GLY A 27 12.494 0.311 -20.948 1.00 0.00 C ATOM 384 O GLY A 27 12.032 0.765 -21.999 1.00 0.00 O ATOM 0 H GLY A 27 14.790 -0.627 -19.872 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.256 1.234 -19.157 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.731 2.047 -20.635 1.00 0.00 H new ATOM 388 N PHE A 28 12.112 -0.870 -20.432 1.00 0.00 N ATOM 389 CA PHE A 28 10.994 -1.668 -20.961 1.00 0.00 C ATOM 390 C PHE A 28 10.289 -2.386 -19.790 1.00 0.00 C ATOM 391 O PHE A 28 10.951 -2.914 -18.887 1.00 0.00 O ATOM 392 CB PHE A 28 11.502 -2.707 -22.009 1.00 0.00 C ATOM 393 CG PHE A 28 10.393 -3.527 -22.694 1.00 0.00 C ATOM 394 CD1 PHE A 28 9.846 -4.655 -22.085 1.00 0.00 C ATOM 395 CD2 PHE A 28 9.906 -3.171 -23.947 1.00 0.00 C ATOM 396 CE1 PHE A 28 8.852 -5.392 -22.699 1.00 0.00 C ATOM 397 CE2 PHE A 28 8.911 -3.905 -24.564 1.00 0.00 C ATOM 398 CZ PHE A 28 8.387 -5.019 -23.941 1.00 0.00 C ATOM 0 H PHE A 28 12.574 -1.300 -19.631 1.00 0.00 H new ATOM 0 HA PHE A 28 10.288 -1.006 -21.463 1.00 0.00 H new ATOM 0 HB2 PHE A 28 12.071 -2.181 -22.775 1.00 0.00 H new ATOM 0 HB3 PHE A 28 12.190 -3.393 -21.515 1.00 0.00 H new ATOM 0 HD1 PHE A 28 10.207 -4.959 -21.113 1.00 0.00 H new ATOM 0 HD2 PHE A 28 10.313 -2.305 -24.447 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.440 -6.260 -22.206 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.543 -3.606 -25.535 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.614 -5.597 -24.426 1.00 0.00 H new ATOM 408 N CYS A 29 8.944 -2.417 -19.829 1.00 0.00 N ATOM 409 CA CYS A 29 8.124 -3.213 -18.884 1.00 0.00 C ATOM 410 C CYS A 29 6.753 -3.582 -19.518 1.00 0.00 C ATOM 411 O CYS A 29 6.209 -4.655 -19.244 1.00 0.00 O ATOM 412 CB CYS A 29 7.927 -2.467 -17.541 1.00 0.00 C ATOM 413 SG CYS A 29 7.312 -3.512 -16.200 1.00 0.00 S ATOM 0 H CYS A 29 8.393 -1.895 -20.511 1.00 0.00 H new ATOM 0 HA CYS A 29 8.663 -4.137 -18.674 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.878 -2.028 -17.239 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.230 -1.643 -17.694 1.00 0.00 H new ATOM 0 HG CYS A 29 8.058 -3.351 -15.148 1.00 0.00 H new ATOM 419 N GLN A 30 6.192 -2.647 -20.331 1.00 0.00 N ATOM 420 CA GLN A 30 4.964 -2.860 -21.168 1.00 0.00 C ATOM 421 C GLN A 30 3.705 -3.215 -20.303 1.00 0.00 C ATOM 422 O GLN A 30 2.770 -3.902 -20.726 1.00 0.00 O ATOM 423 CB GLN A 30 5.248 -3.901 -22.298 1.00 0.00 C ATOM 424 CG GLN A 30 4.147 -4.023 -23.376 1.00 0.00 C ATOM 425 CD GLN A 30 4.546 -4.882 -24.574 1.00 0.00 C ATOM 426 OE1 GLN A 30 4.363 -6.090 -24.570 1.00 0.00 O ATOM 427 NE2 GLN A 30 5.075 -4.261 -25.607 1.00 0.00 N ATOM 0 H GLN A 30 6.580 -1.709 -20.430 1.00 0.00 H new ATOM 0 HA GLN A 30 4.716 -1.916 -21.653 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.185 -3.635 -22.788 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.395 -4.879 -21.840 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.252 -4.446 -22.920 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.885 -3.025 -23.728 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.214 -3.251 -25.578 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.345 -4.790 -26.436 1.00 0.00 H new ATOM 436 N THR A 31 3.704 -2.702 -19.074 1.00 0.00 N ATOM 437 CA THR A 31 2.539 -2.747 -18.151 1.00 0.00 C ATOM 438 C THR A 31 2.372 -1.360 -17.479 1.00 0.00 C ATOM 439 O THR A 31 1.664 -1.189 -16.477 1.00 0.00 O ATOM 440 CB THR A 31 2.706 -3.894 -17.091 1.00 0.00 C ATOM 441 OG1 THR A 31 1.597 -3.917 -16.167 1.00 0.00 O ATOM 442 CG2 THR A 31 4.028 -3.786 -16.315 1.00 0.00 C ATOM 0 H THR A 31 4.517 -2.234 -18.673 1.00 0.00 H new ATOM 0 HA THR A 31 1.634 -2.972 -18.715 1.00 0.00 H new ATOM 0 HB THR A 31 2.723 -4.829 -17.651 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.303 -3.000 -15.985 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.095 -4.602 -15.595 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.865 -3.847 -17.011 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.063 -2.833 -15.788 1.00 0.00 H new ATOM 450 N ASP A 32 3.032 -0.371 -18.101 1.00 0.00 N ATOM 451 CA ASP A 32 3.081 1.024 -17.652 1.00 0.00 C ATOM 452 C ASP A 32 1.888 1.783 -18.256 1.00 0.00 C ATOM 453 O ASP A 32 1.484 1.501 -19.386 1.00 0.00 O ATOM 454 CB ASP A 32 4.423 1.662 -18.116 1.00 0.00 C ATOM 455 CG ASP A 32 5.615 0.715 -17.898 1.00 0.00 C ATOM 456 OD1 ASP A 32 5.882 -0.119 -18.804 1.00 0.00 O ATOM 457 OD2 ASP A 32 6.242 0.757 -16.820 1.00 0.00 O ATOM 0 H ASP A 32 3.563 -0.528 -18.958 1.00 0.00 H new ATOM 0 HA ASP A 32 3.023 1.076 -16.565 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.355 1.922 -19.172 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.592 2.590 -17.569 1.00 0.00 H new ATOM 462 N VAL A 33 1.333 2.751 -17.521 1.00 0.00 N ATOM 463 CA VAL A 33 0.133 3.487 -17.973 1.00 0.00 C ATOM 464 C VAL A 33 0.522 4.696 -18.871 1.00 0.00 C ATOM 465 O VAL A 33 0.536 5.846 -18.422 1.00 0.00 O ATOM 466 CB VAL A 33 -0.760 3.922 -16.751 1.00 0.00 C ATOM 467 CG1 VAL A 33 -2.062 4.639 -17.215 1.00 0.00 C ATOM 468 CG2 VAL A 33 -1.078 2.698 -15.850 1.00 0.00 C ATOM 0 H VAL A 33 1.689 3.048 -16.612 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.467 2.813 -18.585 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.194 4.643 -16.161 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.651 4.924 -16.343 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.803 5.531 -17.785 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.645 3.965 -17.842 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.696 3.015 -15.010 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.614 1.948 -16.431 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.148 2.271 -15.475 1.00 0.00 H new ATOM 478 N GLN A 34 0.920 4.362 -20.123 1.00 0.00 N ATOM 479 CA GLN A 34 1.080 5.298 -21.274 1.00 0.00 C ATOM 480 C GLN A 34 2.186 6.391 -21.100 1.00 0.00 C ATOM 481 O GLN A 34 3.172 6.395 -21.842 1.00 0.00 O ATOM 482 CB GLN A 34 -0.291 5.933 -21.661 1.00 0.00 C ATOM 483 CG GLN A 34 -1.411 4.900 -21.941 1.00 0.00 C ATOM 484 CD GLN A 34 -1.068 3.886 -23.043 1.00 0.00 C ATOM 485 OE1 GLN A 34 -1.521 2.653 -22.891 1.00 0.00 O flip ATOM 486 NE2 GLN A 34 -0.380 4.202 -24.014 1.00 0.00 N flip ATOM 0 H GLN A 34 1.148 3.400 -20.373 1.00 0.00 H new ATOM 0 HA GLN A 34 1.442 4.679 -22.095 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.614 6.593 -20.856 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -0.155 6.554 -22.547 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.630 4.359 -21.020 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.320 5.432 -22.222 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.042 5.160 -24.110 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -0.148 3.506 -24.723 1.00 0.00 H new ATOM 495 N ASP A 35 1.985 7.318 -20.141 1.00 0.00 N ATOM 496 CA ASP A 35 2.913 8.443 -19.841 1.00 0.00 C ATOM 497 C ASP A 35 4.390 8.003 -19.601 1.00 0.00 C ATOM 498 O ASP A 35 4.661 6.921 -19.071 1.00 0.00 O ATOM 499 CB ASP A 35 2.381 9.225 -18.605 1.00 0.00 C ATOM 500 CG ASP A 35 3.223 10.471 -18.252 1.00 0.00 C ATOM 501 OD1 ASP A 35 3.387 11.355 -19.130 1.00 0.00 O ATOM 502 OD2 ASP A 35 3.702 10.590 -17.106 1.00 0.00 O ATOM 0 H ASP A 35 1.161 7.311 -19.540 1.00 0.00 H new ATOM 0 HA ASP A 35 2.935 9.078 -20.727 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.353 9.534 -18.796 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.359 8.556 -17.745 1.00 0.00 H new ATOM 507 N ARG A 36 5.328 8.896 -19.977 1.00 0.00 N ATOM 508 CA ARG A 36 6.784 8.649 -19.891 1.00 0.00 C ATOM 509 C ARG A 36 7.335 9.029 -18.490 1.00 0.00 C ATOM 510 O ARG A 36 7.251 10.189 -18.062 1.00 0.00 O ATOM 511 CB ARG A 36 7.569 9.399 -21.029 1.00 0.00 C ATOM 512 CG ARG A 36 7.466 10.956 -21.057 1.00 0.00 C ATOM 513 CD ARG A 36 6.118 11.483 -21.597 1.00 0.00 C ATOM 514 NE ARG A 36 5.975 12.943 -21.470 1.00 0.00 N ATOM 515 CZ ARG A 36 4.849 13.612 -21.626 1.00 0.00 C ATOM 516 NH1 ARG A 36 3.727 13.008 -21.888 1.00 0.00 N ATOM 517 NH2 ARG A 36 4.855 14.893 -21.510 1.00 0.00 N ATOM 0 H ARG A 36 5.096 9.816 -20.352 1.00 0.00 H new ATOM 0 HA ARG A 36 6.941 7.580 -20.036 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.622 9.131 -20.946 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.218 9.020 -21.989 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.617 11.339 -20.048 1.00 0.00 H new ATOM 0 HG3 ARG A 36 8.273 11.353 -21.672 1.00 0.00 H new ATOM 0 HD2 ARG A 36 6.020 11.204 -22.646 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.303 10.996 -21.061 1.00 0.00 H new ATOM 0 HE ARG A 36 6.813 13.479 -21.244 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.703 11.992 -21.978 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.871 13.550 -22.004 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.725 15.382 -21.299 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.990 15.420 -21.629 1.00 0.00 H new ATOM 531 N GLY A 37 7.882 8.032 -17.781 1.00 0.00 N ATOM 532 CA GLY A 37 8.497 8.239 -16.454 1.00 0.00 C ATOM 533 C GLY A 37 7.982 7.271 -15.386 1.00 0.00 C ATOM 534 O GLY A 37 7.299 6.289 -15.711 1.00 0.00 O ATOM 0 H GLY A 37 7.913 7.065 -18.104 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.578 8.129 -16.542 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.306 9.262 -16.129 1.00 0.00 H new ATOM 538 N SER A 38 8.329 7.566 -14.108 1.00 0.00 N ATOM 539 CA SER A 38 7.951 6.749 -12.922 1.00 0.00 C ATOM 540 C SER A 38 8.528 5.307 -12.986 1.00 0.00 C ATOM 541 O SER A 38 9.374 4.988 -13.833 1.00 0.00 O ATOM 542 CB SER A 38 6.402 6.725 -12.736 1.00 0.00 C ATOM 543 OG SER A 38 5.866 8.034 -12.634 1.00 0.00 O ATOM 0 H SER A 38 8.885 8.386 -13.867 1.00 0.00 H new ATOM 0 HA SER A 38 8.397 7.227 -12.050 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.942 6.208 -13.578 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.152 6.158 -11.839 1.00 0.00 H new ATOM 0 HG SER A 38 4.894 7.982 -12.520 1.00 0.00 H new ATOM 549 N HIS A 39 8.105 4.456 -12.036 1.00 0.00 N ATOM 550 CA HIS A 39 8.391 3.001 -12.041 1.00 0.00 C ATOM 551 C HIS A 39 7.069 2.203 -11.916 1.00 0.00 C ATOM 552 O HIS A 39 5.997 2.789 -11.705 1.00 0.00 O ATOM 553 CB HIS A 39 9.376 2.639 -10.894 1.00 0.00 C ATOM 554 CG HIS A 39 10.720 3.333 -10.979 1.00 0.00 C ATOM 555 ND1 HIS A 39 11.352 3.614 -12.175 1.00 0.00 N ATOM 556 CD2 HIS A 39 11.544 3.809 -10.015 1.00 0.00 C ATOM 557 CE1 HIS A 39 12.494 4.222 -11.940 1.00 0.00 C ATOM 558 NE2 HIS A 39 12.639 4.358 -10.640 1.00 0.00 N ATOM 0 H HIS A 39 7.550 4.755 -11.234 1.00 0.00 H new ATOM 0 HA HIS A 39 8.865 2.733 -12.985 1.00 0.00 H new ATOM 0 HB2 HIS A 39 8.911 2.890 -9.940 1.00 0.00 H new ATOM 0 HB3 HIS A 39 9.537 1.561 -10.897 1.00 0.00 H new ATOM 0 HD1 HIS A 39 10.988 3.385 -13.100 1.00 0.00 H new ATOM 0 HD2 HIS A 39 11.372 3.765 -8.950 1.00 0.00 H new ATOM 0 HE1 HIS A 39 13.196 4.554 -12.690 1.00 0.00 H new ATOM 567 N THR A 40 7.147 0.868 -12.017 1.00 0.00 N ATOM 568 CA THR A 40 5.946 0.005 -12.078 1.00 0.00 C ATOM 569 C THR A 40 5.552 -0.487 -10.664 1.00 0.00 C ATOM 570 O THR A 40 6.233 -1.328 -10.070 1.00 0.00 O ATOM 571 CB THR A 40 6.179 -1.232 -13.014 1.00 0.00 C ATOM 572 OG1 THR A 40 6.731 -0.813 -14.274 1.00 0.00 O ATOM 573 CG2 THR A 40 4.875 -2.020 -13.264 1.00 0.00 C ATOM 0 H THR A 40 8.029 0.357 -12.059 1.00 0.00 H new ATOM 0 HA THR A 40 5.135 0.606 -12.489 1.00 0.00 H new ATOM 0 HB THR A 40 6.883 -1.890 -12.504 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.902 -1.599 -14.834 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.082 -2.868 -13.917 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.480 -2.381 -12.314 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.141 -1.368 -13.738 1.00 0.00 H new ATOM 581 N VAL A 41 4.468 0.088 -10.109 1.00 0.00 N ATOM 582 CA VAL A 41 3.903 -0.315 -8.801 1.00 0.00 C ATOM 583 C VAL A 41 2.401 -0.660 -8.944 1.00 0.00 C ATOM 584 O VAL A 41 1.599 0.178 -9.387 1.00 0.00 O ATOM 585 CB VAL A 41 4.064 0.817 -7.708 1.00 0.00 C ATOM 586 CG1 VAL A 41 3.414 0.385 -6.361 1.00 0.00 C ATOM 587 CG2 VAL A 41 5.556 1.213 -7.508 1.00 0.00 C ATOM 0 H VAL A 41 3.955 0.849 -10.555 1.00 0.00 H new ATOM 0 HA VAL A 41 4.462 -1.192 -8.474 1.00 0.00 H new ATOM 0 HB VAL A 41 3.539 1.701 -8.070 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.538 1.180 -5.626 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.352 0.195 -6.514 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.897 -0.523 -5.999 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.627 1.993 -6.750 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.124 0.340 -7.185 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.963 1.583 -8.449 1.00 0.00 H new ATOM 597 N CYS A 42 2.030 -1.891 -8.556 1.00 0.00 N ATOM 598 CA CYS A 42 0.622 -2.304 -8.398 1.00 0.00 C ATOM 599 C CYS A 42 0.396 -2.764 -6.942 1.00 0.00 C ATOM 600 O CYS A 42 0.849 -3.836 -6.534 1.00 0.00 O ATOM 601 CB CYS A 42 0.273 -3.436 -9.395 1.00 0.00 C ATOM 602 SG CYS A 42 0.470 -2.972 -11.133 1.00 0.00 S ATOM 0 H CYS A 42 2.698 -2.631 -8.342 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.033 -1.460 -8.614 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.906 -4.298 -9.186 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.758 -3.749 -9.228 1.00 0.00 H new ATOM 0 HG CYS A 42 0.158 -3.982 -11.890 1.00 0.00 H new ATOM 608 N ALA A 43 -0.314 -1.934 -6.170 1.00 0.00 N ATOM 609 CA ALA A 43 -0.648 -2.199 -4.756 1.00 0.00 C ATOM 610 C ALA A 43 -2.116 -1.833 -4.523 1.00 0.00 C ATOM 611 O ALA A 43 -2.607 -0.856 -5.098 1.00 0.00 O ATOM 612 CB ALA A 43 0.274 -1.395 -3.820 1.00 0.00 C ATOM 0 H ALA A 43 -0.681 -1.045 -6.510 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.497 -3.255 -4.534 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.012 -1.604 -2.783 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.311 -1.681 -3.997 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.153 -0.330 -4.017 1.00 0.00 H new ATOM 618 N GLU A 44 -2.824 -2.604 -3.695 1.00 0.00 N ATOM 619 CA GLU A 44 -4.282 -2.444 -3.540 1.00 0.00 C ATOM 620 C GLU A 44 -4.640 -2.155 -2.074 1.00 0.00 C ATOM 621 O GLU A 44 -4.494 -3.020 -1.205 1.00 0.00 O ATOM 622 CB GLU A 44 -5.009 -3.715 -4.049 1.00 0.00 C ATOM 623 CG GLU A 44 -6.448 -3.482 -4.499 1.00 0.00 C ATOM 624 CD GLU A 44 -7.129 -4.778 -4.973 1.00 0.00 C ATOM 625 OE1 GLU A 44 -6.875 -5.212 -6.121 1.00 0.00 O ATOM 626 OE2 GLU A 44 -7.903 -5.376 -4.197 1.00 0.00 O ATOM 0 H GLU A 44 -2.419 -3.344 -3.121 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.611 -1.594 -4.138 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.444 -4.132 -4.882 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.006 -4.462 -3.256 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.019 -3.054 -3.675 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.460 -2.751 -5.308 1.00 0.00 H new ATOM 633 N MET A 45 -5.072 -0.920 -1.818 1.00 0.00 N ATOM 634 CA MET A 45 -5.489 -0.458 -0.483 1.00 0.00 C ATOM 635 C MET A 45 -7.002 -0.730 -0.301 1.00 0.00 C ATOM 636 O MET A 45 -7.790 -0.470 -1.227 1.00 0.00 O ATOM 637 CB MET A 45 -5.178 1.067 -0.348 1.00 0.00 C ATOM 638 CG MET A 45 -3.840 1.482 -0.992 1.00 0.00 C ATOM 639 SD MET A 45 -2.396 0.852 -0.123 1.00 0.00 S ATOM 640 CE MET A 45 -2.379 1.925 1.305 1.00 0.00 C ATOM 0 H MET A 45 -5.145 -0.200 -2.537 1.00 0.00 H new ATOM 0 HA MET A 45 -4.942 -0.995 0.292 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.986 1.636 -0.808 1.00 0.00 H new ATOM 0 HB3 MET A 45 -5.162 1.334 0.709 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.817 1.127 -2.022 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.786 2.570 -1.028 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.668 1.544 2.038 1.00 0.00 H new ATOM 0 HE2 MET A 45 -2.085 2.930 1.002 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.374 1.957 1.748 1.00 0.00 H new ATOM 650 N THR A 46 -7.411 -1.252 0.877 1.00 0.00 N ATOM 651 CA THR A 46 -8.851 -1.473 1.174 1.00 0.00 C ATOM 652 C THR A 46 -9.480 -0.161 1.653 1.00 0.00 C ATOM 653 O THR A 46 -8.768 0.738 2.135 1.00 0.00 O ATOM 654 CB THR A 46 -9.112 -2.595 2.245 1.00 0.00 C ATOM 655 OG1 THR A 46 -10.522 -2.894 2.319 1.00 0.00 O ATOM 656 CG2 THR A 46 -8.624 -2.204 3.652 1.00 0.00 C ATOM 0 H THR A 46 -6.779 -1.526 1.629 1.00 0.00 H new ATOM 0 HA THR A 46 -9.309 -1.814 0.246 1.00 0.00 H new ATOM 0 HB THR A 46 -8.545 -3.467 1.919 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.673 -3.595 2.987 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.831 -3.017 4.348 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.551 -2.014 3.625 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.144 -1.304 3.980 1.00 0.00 H new ATOM 664 N GLU A 47 -10.819 -0.081 1.562 1.00 0.00 N ATOM 665 CA GLU A 47 -11.579 1.160 1.823 1.00 0.00 C ATOM 666 C GLU A 47 -11.273 1.761 3.206 1.00 0.00 C ATOM 667 O GLU A 47 -11.254 2.967 3.342 1.00 0.00 O ATOM 668 CB GLU A 47 -13.103 0.920 1.660 1.00 0.00 C ATOM 669 CG GLU A 47 -13.941 2.214 1.615 1.00 0.00 C ATOM 670 CD GLU A 47 -15.446 1.961 1.434 1.00 0.00 C ATOM 671 OE1 GLU A 47 -15.882 1.702 0.291 1.00 0.00 O ATOM 672 OE2 GLU A 47 -16.200 2.020 2.430 1.00 0.00 O ATOM 0 H GLU A 47 -11.408 -0.874 1.306 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.254 1.887 1.079 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.275 0.356 0.744 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.453 0.301 2.486 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -13.782 2.773 2.537 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.585 2.841 0.797 1.00 0.00 H new ATOM 679 N GLU A 48 -10.975 0.900 4.192 1.00 0.00 N ATOM 680 CA GLU A 48 -10.757 1.309 5.601 1.00 0.00 C ATOM 681 C GLU A 48 -9.624 2.364 5.765 1.00 0.00 C ATOM 682 O GLU A 48 -9.740 3.273 6.591 1.00 0.00 O ATOM 683 CB GLU A 48 -10.470 0.064 6.472 1.00 0.00 C ATOM 684 CG GLU A 48 -11.518 -1.065 6.335 1.00 0.00 C ATOM 685 CD GLU A 48 -12.968 -0.594 6.591 1.00 0.00 C ATOM 686 OE1 GLU A 48 -13.362 -0.464 7.770 1.00 0.00 O ATOM 687 OE2 GLU A 48 -13.712 -0.339 5.615 1.00 0.00 O ATOM 0 H GLU A 48 -10.877 -0.104 4.041 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.674 1.792 5.938 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.490 -0.332 6.207 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.418 0.370 7.517 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.454 -1.490 5.333 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.274 -1.863 7.036 1.00 0.00 H new ATOM 694 N PHE A 49 -8.535 2.241 4.971 1.00 0.00 N ATOM 695 CA PHE A 49 -7.443 3.248 4.975 1.00 0.00 C ATOM 696 C PHE A 49 -7.850 4.533 4.209 1.00 0.00 C ATOM 697 O PHE A 49 -7.506 5.637 4.630 1.00 0.00 O ATOM 698 CB PHE A 49 -6.117 2.673 4.402 1.00 0.00 C ATOM 699 CG PHE A 49 -5.014 3.734 4.277 1.00 0.00 C ATOM 700 CD1 PHE A 49 -4.495 4.363 5.415 1.00 0.00 C ATOM 701 CD2 PHE A 49 -4.557 4.164 3.026 1.00 0.00 C ATOM 702 CE1 PHE A 49 -3.549 5.368 5.307 1.00 0.00 C ATOM 703 CE2 PHE A 49 -3.617 5.177 2.920 1.00 0.00 C ATOM 704 CZ PHE A 49 -3.114 5.778 4.060 1.00 0.00 C ATOM 0 H PHE A 49 -8.388 1.465 4.326 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.268 3.512 6.018 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.768 1.866 5.046 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.309 2.237 3.421 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.838 4.059 6.393 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.942 3.700 2.130 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.151 5.832 6.197 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -3.277 5.498 1.946 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.382 6.567 3.976 1.00 0.00 H new ATOM 714 N LEU A 50 -8.555 4.384 3.074 1.00 0.00 N ATOM 715 CA LEU A 50 -9.018 5.545 2.264 1.00 0.00 C ATOM 716 C LEU A 50 -10.117 6.349 3.027 1.00 0.00 C ATOM 717 O LEU A 50 -10.302 7.548 2.797 1.00 0.00 O ATOM 718 CB LEU A 50 -9.497 5.096 0.845 1.00 0.00 C ATOM 719 CG LEU A 50 -8.404 4.535 -0.129 1.00 0.00 C ATOM 720 CD1 LEU A 50 -7.969 3.118 0.255 1.00 0.00 C ATOM 721 CD2 LEU A 50 -8.878 4.588 -1.604 1.00 0.00 C ATOM 0 H LEU A 50 -8.821 3.477 2.690 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.170 6.213 2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.263 4.331 0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.975 5.949 0.363 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.532 5.182 -0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.211 2.768 -0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.555 3.125 1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.830 2.451 0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.096 4.192 -2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.782 3.989 -1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.090 5.621 -1.881 1.00 0.00 H new ATOM 733 N LEU A 51 -10.823 5.655 3.946 1.00 0.00 N ATOM 734 CA LEU A 51 -11.759 6.262 4.915 1.00 0.00 C ATOM 735 C LEU A 51 -10.966 6.969 6.038 1.00 0.00 C ATOM 736 O LEU A 51 -11.278 8.090 6.404 1.00 0.00 O ATOM 737 CB LEU A 51 -12.703 5.183 5.514 1.00 0.00 C ATOM 738 CG LEU A 51 -13.724 4.529 4.532 1.00 0.00 C ATOM 739 CD1 LEU A 51 -14.527 3.403 5.226 1.00 0.00 C ATOM 740 CD2 LEU A 51 -14.660 5.586 3.902 1.00 0.00 C ATOM 0 H LEU A 51 -10.757 4.641 4.036 1.00 0.00 H new ATOM 0 HA LEU A 51 -12.372 6.999 4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.088 4.392 5.944 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -13.260 5.635 6.335 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.155 4.075 3.721 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.230 2.967 4.516 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -13.842 2.632 5.579 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -15.075 3.816 6.073 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -15.358 5.096 3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -15.216 6.095 4.689 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -14.067 6.314 3.348 1.00 0.00 H new ATOM 752 N PHE A 52 -9.917 6.305 6.565 1.00 0.00 N ATOM 753 CA PHE A 52 -8.989 6.915 7.560 1.00 0.00 C ATOM 754 C PHE A 52 -8.369 8.226 7.011 1.00 0.00 C ATOM 755 O PHE A 52 -8.238 9.211 7.732 1.00 0.00 O ATOM 756 CB PHE A 52 -7.867 5.902 7.942 1.00 0.00 C ATOM 757 CG PHE A 52 -6.739 6.495 8.796 1.00 0.00 C ATOM 758 CD1 PHE A 52 -6.956 6.826 10.136 1.00 0.00 C ATOM 759 CD2 PHE A 52 -5.468 6.736 8.256 1.00 0.00 C ATOM 760 CE1 PHE A 52 -5.946 7.373 10.905 1.00 0.00 C ATOM 761 CE2 PHE A 52 -4.460 7.283 9.030 1.00 0.00 C ATOM 762 CZ PHE A 52 -4.700 7.601 10.353 1.00 0.00 C ATOM 0 H PHE A 52 -9.684 5.342 6.322 1.00 0.00 H new ATOM 0 HA PHE A 52 -9.562 7.161 8.454 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -8.316 5.069 8.483 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.437 5.493 7.028 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.926 6.652 10.577 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.273 6.491 7.222 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -6.131 7.623 11.939 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.485 7.461 8.600 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.913 8.028 10.956 1.00 0.00 H new ATOM 772 N SER A 53 -8.029 8.215 5.714 1.00 0.00 N ATOM 773 CA SER A 53 -7.365 9.344 5.030 1.00 0.00 C ATOM 774 C SER A 53 -8.281 10.588 4.948 1.00 0.00 C ATOM 775 O SER A 53 -7.831 11.718 5.170 1.00 0.00 O ATOM 776 CB SER A 53 -6.920 8.902 3.619 1.00 0.00 C ATOM 777 OG SER A 53 -6.198 9.919 2.945 1.00 0.00 O ATOM 0 H SER A 53 -8.207 7.418 5.102 1.00 0.00 H new ATOM 0 HA SER A 53 -6.491 9.630 5.615 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.300 8.009 3.698 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.797 8.630 3.031 1.00 0.00 H new ATOM 0 HG SER A 53 -6.379 9.866 1.983 1.00 0.00 H new ATOM 783 N ARG A 54 -9.575 10.371 4.632 1.00 0.00 N ATOM 784 CA ARG A 54 -10.564 11.471 4.529 1.00 0.00 C ATOM 785 C ARG A 54 -11.050 11.966 5.928 1.00 0.00 C ATOM 786 O ARG A 54 -11.055 13.172 6.196 1.00 0.00 O ATOM 787 CB ARG A 54 -11.763 11.055 3.628 1.00 0.00 C ATOM 788 CG ARG A 54 -12.581 9.838 4.108 1.00 0.00 C ATOM 789 CD ARG A 54 -13.900 9.650 3.334 1.00 0.00 C ATOM 790 NE ARG A 54 -14.743 10.862 3.361 1.00 0.00 N ATOM 791 CZ ARG A 54 -15.428 11.313 4.398 1.00 0.00 C ATOM 792 NH1 ARG A 54 -15.449 10.693 5.535 1.00 0.00 N ATOM 793 NH2 ARG A 54 -16.112 12.401 4.285 1.00 0.00 N ATOM 0 H ARG A 54 -9.961 9.446 4.443 1.00 0.00 H new ATOM 0 HA ARG A 54 -10.059 12.314 4.058 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.436 11.907 3.538 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.384 10.841 2.629 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.975 8.938 4.005 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.803 9.953 5.169 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.678 9.388 2.300 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.454 8.815 3.762 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.802 11.402 2.498 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.925 9.826 5.653 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.989 11.072 6.313 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -16.122 12.907 3.400 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.643 12.755 5.081 1.00 0.00 H new ATOM 807 N ASP A 55 -11.420 11.019 6.817 1.00 0.00 N ATOM 808 CA ASP A 55 -11.972 11.311 8.169 1.00 0.00 C ATOM 809 C ASP A 55 -10.917 11.915 9.139 1.00 0.00 C ATOM 810 O ASP A 55 -11.286 12.513 10.155 1.00 0.00 O ATOM 811 CB ASP A 55 -12.585 10.020 8.788 1.00 0.00 C ATOM 812 CG ASP A 55 -13.901 9.580 8.110 1.00 0.00 C ATOM 813 OD1 ASP A 55 -13.870 8.819 7.121 1.00 0.00 O ATOM 814 OD2 ASP A 55 -14.982 10.005 8.564 1.00 0.00 O ATOM 0 H ASP A 55 -11.346 10.021 6.620 1.00 0.00 H new ATOM 0 HA ASP A 55 -12.748 12.065 8.035 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -11.859 9.211 8.715 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -12.770 10.187 9.849 1.00 0.00 H new ATOM 819 N ARG A 56 -9.611 11.744 8.832 1.00 0.00 N ATOM 820 CA ARG A 56 -8.512 12.338 9.638 1.00 0.00 C ATOM 821 C ARG A 56 -8.460 13.883 9.479 1.00 0.00 C ATOM 822 O ARG A 56 -8.101 14.598 10.420 1.00 0.00 O ATOM 823 CB ARG A 56 -7.147 11.712 9.237 1.00 0.00 C ATOM 824 CG ARG A 56 -5.959 12.112 10.150 1.00 0.00 C ATOM 825 CD ARG A 56 -4.625 11.476 9.714 1.00 0.00 C ATOM 826 NE ARG A 56 -4.213 11.906 8.363 1.00 0.00 N ATOM 827 CZ ARG A 56 -3.064 11.619 7.782 1.00 0.00 C ATOM 828 NH1 ARG A 56 -2.135 10.952 8.394 1.00 0.00 N ATOM 829 NH2 ARG A 56 -2.851 12.045 6.586 1.00 0.00 N ATOM 0 H ARG A 56 -9.289 11.200 8.032 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.712 12.115 10.686 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.244 10.626 9.244 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.915 12.004 8.213 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.856 13.197 10.148 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.179 11.814 11.175 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.847 11.742 10.430 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.719 10.390 9.734 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.874 12.474 7.833 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.282 10.634 9.352 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.257 10.746 7.917 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.564 12.594 6.105 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.969 11.834 6.119 1.00 0.00 H new ATOM 843 N GLY A 57 -8.830 14.382 8.278 1.00 0.00 N ATOM 844 CA GLY A 57 -8.748 15.823 7.965 1.00 0.00 C ATOM 845 C GLY A 57 -10.105 16.454 7.620 1.00 0.00 C ATOM 846 O GLY A 57 -10.743 17.078 8.477 1.00 0.00 O ATOM 0 H GLY A 57 -9.187 13.809 7.513 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.319 16.348 8.818 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.066 15.966 7.127 1.00 0.00 H new ATOM 850 N ASN A 58 -10.541 16.292 6.359 1.00 0.00 N ATOM 851 CA ASN A 58 -11.818 16.844 5.845 1.00 0.00 C ATOM 852 C ASN A 58 -12.544 15.796 4.943 1.00 0.00 C ATOM 853 O ASN A 58 -13.449 15.094 5.418 1.00 0.00 O ATOM 854 CB ASN A 58 -11.575 18.224 5.139 1.00 0.00 C ATOM 855 CG ASN A 58 -10.366 18.246 4.187 1.00 0.00 C ATOM 856 OD1 ASN A 58 -10.488 18.000 2.990 1.00 0.00 O ATOM 857 ND2 ASN A 58 -9.190 18.524 4.719 1.00 0.00 N ATOM 0 H ASN A 58 -10.016 15.770 5.657 1.00 0.00 H new ATOM 0 HA ASN A 58 -12.492 17.044 6.678 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.469 18.494 4.577 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.435 18.989 5.902 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -8.355 18.538 4.133 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -9.116 18.725 5.716 1.00 0.00 H new ATOM 864 N ASP A 59 -12.115 15.662 3.666 1.00 0.00 N ATOM 865 CA ASP A 59 -12.629 14.646 2.726 1.00 0.00 C ATOM 866 C ASP A 59 -11.726 14.564 1.461 1.00 0.00 C ATOM 867 O ASP A 59 -11.506 15.568 0.775 1.00 0.00 O ATOM 868 CB ASP A 59 -14.121 14.905 2.348 1.00 0.00 C ATOM 869 CG ASP A 59 -14.384 16.218 1.579 1.00 0.00 C ATOM 870 OD1 ASP A 59 -14.442 17.288 2.211 1.00 0.00 O ATOM 871 OD2 ASP A 59 -14.534 16.179 0.331 1.00 0.00 O ATOM 0 H ASP A 59 -11.397 16.262 3.259 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.596 13.680 3.230 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.476 14.071 1.743 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.715 14.912 3.262 1.00 0.00 H new ATOM 876 N LEU A 60 -11.163 13.367 1.188 1.00 0.00 N ATOM 877 CA LEU A 60 -10.368 13.086 -0.035 1.00 0.00 C ATOM 878 C LEU A 60 -11.138 12.115 -0.967 1.00 0.00 C ATOM 879 O LEU A 60 -11.537 12.495 -2.079 1.00 0.00 O ATOM 880 CB LEU A 60 -8.965 12.509 0.337 1.00 0.00 C ATOM 881 CG LEU A 60 -8.023 13.451 1.166 1.00 0.00 C ATOM 882 CD1 LEU A 60 -6.681 12.768 1.496 1.00 0.00 C ATOM 883 CD2 LEU A 60 -7.800 14.811 0.456 1.00 0.00 C ATOM 0 H LEU A 60 -11.245 12.563 1.810 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.213 14.023 -0.570 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.113 11.589 0.903 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.451 12.237 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.529 13.654 2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.056 13.452 2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.865 11.867 2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.171 12.502 0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.142 15.434 1.062 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.343 14.642 -0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.758 15.314 0.325 1.00 0.00 H new ATOM 895 N MET A 61 -11.347 10.859 -0.504 1.00 0.00 N ATOM 896 CA MET A 61 -12.138 9.855 -1.255 1.00 0.00 C ATOM 897 C MET A 61 -13.654 10.104 -1.031 1.00 0.00 C ATOM 898 O MET A 61 -14.241 9.626 -0.054 1.00 0.00 O ATOM 899 CB MET A 61 -11.748 8.407 -0.840 1.00 0.00 C ATOM 900 CG MET A 61 -12.418 7.305 -1.694 1.00 0.00 C ATOM 901 SD MET A 61 -12.242 5.648 -1.001 1.00 0.00 S ATOM 902 CE MET A 61 -13.184 5.797 0.520 1.00 0.00 C ATOM 0 H MET A 61 -10.979 10.518 0.384 1.00 0.00 H new ATOM 0 HA MET A 61 -11.916 9.963 -2.317 1.00 0.00 H new ATOM 0 HB2 MET A 61 -10.666 8.299 -0.911 1.00 0.00 H new ATOM 0 HB3 MET A 61 -12.016 8.255 0.206 1.00 0.00 H new ATOM 0 HG2 MET A 61 -13.478 7.534 -1.801 1.00 0.00 H new ATOM 0 HG3 MET A 61 -11.986 7.319 -2.695 1.00 0.00 H new ATOM 0 HE1 MET A 61 -12.530 5.613 1.372 1.00 0.00 H new ATOM 0 HE2 MET A 61 -13.601 6.801 0.593 1.00 0.00 H new ATOM 0 HE3 MET A 61 -13.994 5.067 0.519 1.00 0.00 H new ATOM 912 N THR A 62 -14.245 10.914 -1.919 1.00 0.00 N ATOM 913 CA THR A 62 -15.679 11.315 -1.875 1.00 0.00 C ATOM 914 C THR A 62 -16.243 11.471 -3.316 1.00 0.00 C ATOM 915 O THR A 62 -15.456 11.530 -4.272 1.00 0.00 O ATOM 916 CB THR A 62 -15.865 12.663 -1.074 1.00 0.00 C ATOM 917 OG1 THR A 62 -14.819 13.594 -1.412 1.00 0.00 O ATOM 918 CG2 THR A 62 -15.897 12.436 0.445 1.00 0.00 C ATOM 0 H THR A 62 -13.741 11.322 -2.706 1.00 0.00 H new ATOM 0 HA THR A 62 -16.232 10.529 -1.360 1.00 0.00 H new ATOM 0 HB THR A 62 -16.830 13.079 -1.363 1.00 0.00 H new ATOM 0 HG1 THR A 62 -14.833 14.345 -0.782 1.00 0.00 H new ATOM 0 HG21 THR A 62 -16.027 13.392 0.953 1.00 0.00 H new ATOM 0 HG22 THR A 62 -16.727 11.776 0.697 1.00 0.00 H new ATOM 0 HG23 THR A 62 -14.960 11.979 0.764 1.00 0.00 H new ATOM 926 N PRO A 63 -17.619 11.494 -3.511 1.00 0.00 N ATOM 927 CA PRO A 63 -18.250 11.787 -4.836 1.00 0.00 C ATOM 928 C PRO A 63 -17.886 13.200 -5.366 1.00 0.00 C ATOM 929 O PRO A 63 -18.579 14.194 -5.109 1.00 0.00 O ATOM 930 CB PRO A 63 -19.779 11.625 -4.560 1.00 0.00 C ATOM 931 CG PRO A 63 -19.914 11.809 -3.079 1.00 0.00 C ATOM 932 CD PRO A 63 -18.665 11.185 -2.494 1.00 0.00 C ATOM 0 HA PRO A 63 -17.898 11.120 -5.623 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -20.362 12.366 -5.107 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -20.137 10.644 -4.872 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -19.988 12.864 -2.817 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -20.813 11.323 -2.701 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -18.419 11.612 -1.522 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -18.781 10.111 -2.350 1.00 0.00 H new ATOM 940 N ARG A 64 -16.736 13.276 -6.066 1.00 0.00 N ATOM 941 CA ARG A 64 -16.220 14.510 -6.693 1.00 0.00 C ATOM 942 C ARG A 64 -16.038 14.276 -8.220 1.00 0.00 C ATOM 943 O ARG A 64 -14.913 14.135 -8.693 1.00 0.00 O ATOM 944 CB ARG A 64 -14.868 14.926 -6.025 1.00 0.00 C ATOM 945 CG ARG A 64 -14.918 15.095 -4.488 1.00 0.00 C ATOM 946 CD ARG A 64 -15.959 16.137 -4.028 1.00 0.00 C ATOM 947 NE ARG A 64 -16.133 16.136 -2.565 1.00 0.00 N ATOM 948 CZ ARG A 64 -17.279 15.963 -1.930 1.00 0.00 C ATOM 949 NH1 ARG A 64 -18.383 15.718 -2.574 1.00 0.00 N ATOM 950 NH2 ARG A 64 -17.305 16.008 -0.648 1.00 0.00 N ATOM 0 H ARG A 64 -16.130 12.469 -6.214 1.00 0.00 H new ATOM 0 HA ARG A 64 -16.933 15.322 -6.546 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -14.115 14.176 -6.268 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -14.536 15.865 -6.467 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -15.148 14.133 -4.030 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -13.933 15.391 -4.129 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -15.648 17.129 -4.355 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -16.916 15.929 -4.507 1.00 0.00 H new ATOM 0 HE ARG A 64 -15.300 16.281 -1.995 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -18.376 15.656 -3.592 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -19.255 15.588 -2.061 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -16.445 16.176 -0.126 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -18.186 15.875 -0.151 1.00 0.00 H new ATOM 964 N PRO A 65 -17.153 14.235 -9.017 1.00 0.00 N ATOM 965 CA PRO A 65 -17.104 13.783 -10.437 1.00 0.00 C ATOM 966 C PRO A 65 -16.409 14.802 -11.385 1.00 0.00 C ATOM 967 O PRO A 65 -15.731 14.416 -12.342 1.00 0.00 O ATOM 968 CB PRO A 65 -18.604 13.597 -10.784 1.00 0.00 C ATOM 969 CG PRO A 65 -19.322 14.588 -9.913 1.00 0.00 C ATOM 970 CD PRO A 65 -18.530 14.649 -8.617 1.00 0.00 C ATOM 0 HA PRO A 65 -16.508 12.880 -10.565 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -18.793 13.788 -11.840 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -18.934 12.578 -10.580 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -19.368 15.567 -10.390 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -20.350 14.275 -9.729 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -18.538 15.652 -8.191 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -18.945 13.980 -7.863 1.00 0.00 H new ATOM 978 N GLU A 66 -16.578 16.103 -11.087 1.00 0.00 N ATOM 979 CA GLU A 66 -16.018 17.219 -11.888 1.00 0.00 C ATOM 980 C GLU A 66 -14.684 17.742 -11.293 1.00 0.00 C ATOM 981 O GLU A 66 -14.024 18.601 -11.884 1.00 0.00 O ATOM 982 CB GLU A 66 -17.072 18.358 -11.966 1.00 0.00 C ATOM 983 CG GLU A 66 -18.399 17.939 -12.639 1.00 0.00 C ATOM 984 CD GLU A 66 -19.444 19.068 -12.677 1.00 0.00 C ATOM 985 OE1 GLU A 66 -19.295 20.003 -13.496 1.00 0.00 O ATOM 986 OE2 GLU A 66 -20.421 19.027 -11.897 1.00 0.00 O ATOM 0 H GLU A 66 -17.112 16.418 -10.277 1.00 0.00 H new ATOM 0 HA GLU A 66 -15.793 16.854 -12.890 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -17.284 18.713 -10.958 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.646 19.197 -12.516 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -18.194 17.609 -13.657 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -18.816 17.085 -12.105 1.00 0.00 H new ATOM 993 N PHE A 67 -14.298 17.209 -10.114 1.00 0.00 N ATOM 994 CA PHE A 67 -13.087 17.642 -9.369 1.00 0.00 C ATOM 995 C PHE A 67 -11.980 16.555 -9.421 1.00 0.00 C ATOM 996 O PHE A 67 -10.785 16.868 -9.391 1.00 0.00 O ATOM 997 CB PHE A 67 -13.465 17.946 -7.889 1.00 0.00 C ATOM 998 CG PHE A 67 -14.636 18.921 -7.733 1.00 0.00 C ATOM 999 CD1 PHE A 67 -14.447 20.296 -7.871 1.00 0.00 C ATOM 1000 CD2 PHE A 67 -15.928 18.459 -7.462 1.00 0.00 C ATOM 1001 CE1 PHE A 67 -15.508 21.176 -7.745 1.00 0.00 C ATOM 1002 CE2 PHE A 67 -16.985 19.339 -7.332 1.00 0.00 C ATOM 1003 CZ PHE A 67 -16.775 20.698 -7.476 1.00 0.00 C ATOM 0 H PHE A 67 -14.816 16.464 -9.647 1.00 0.00 H new ATOM 0 HA PHE A 67 -12.697 18.544 -9.840 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -13.716 17.010 -7.389 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -12.593 18.356 -7.379 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -13.459 20.679 -8.079 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -16.102 17.399 -7.353 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -15.345 22.238 -7.857 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -17.975 18.965 -7.118 1.00 0.00 H new ATOM 0 HZ PHE A 67 -17.602 21.386 -7.378 1.00 0.00 H new ATOM 1013 N ASN A 68 -12.407 15.281 -9.496 1.00 0.00 N ATOM 1014 CA ASN A 68 -11.510 14.109 -9.455 1.00 0.00 C ATOM 1015 C ASN A 68 -12.172 12.911 -10.183 1.00 0.00 C ATOM 1016 O ASN A 68 -13.012 12.207 -9.606 1.00 0.00 O ATOM 1017 CB ASN A 68 -11.181 13.761 -7.970 1.00 0.00 C ATOM 1018 CG ASN A 68 -10.228 12.574 -7.817 1.00 0.00 C ATOM 1019 OD1 ASN A 68 -10.773 11.372 -7.701 1.00 0.00 O flip ATOM 1020 ND2 ASN A 68 -9.012 12.738 -7.806 1.00 0.00 N flip ATOM 0 H ASN A 68 -13.392 15.033 -9.588 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.577 14.338 -9.970 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -10.740 14.635 -7.490 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.109 13.542 -7.443 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -8.623 13.677 -7.897 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -8.390 11.936 -7.705 1.00 0.00 H new ATOM 1027 N PHE A 69 -11.819 12.715 -11.467 1.00 0.00 N ATOM 1028 CA PHE A 69 -12.308 11.573 -12.271 1.00 0.00 C ATOM 1029 C PHE A 69 -11.601 10.229 -11.860 1.00 0.00 C ATOM 1030 O PHE A 69 -12.299 9.229 -11.648 1.00 0.00 O ATOM 1031 CB PHE A 69 -12.171 11.865 -13.797 1.00 0.00 C ATOM 1032 CG PHE A 69 -12.717 10.751 -14.699 1.00 0.00 C ATOM 1033 CD1 PHE A 69 -14.095 10.583 -14.873 1.00 0.00 C ATOM 1034 CD2 PHE A 69 -11.859 9.859 -15.354 1.00 0.00 C ATOM 1035 CE1 PHE A 69 -14.593 9.570 -15.672 1.00 0.00 C ATOM 1036 CE2 PHE A 69 -12.361 8.846 -16.153 1.00 0.00 C ATOM 1037 CZ PHE A 69 -13.728 8.701 -16.312 1.00 0.00 C ATOM 0 H PHE A 69 -11.191 13.337 -11.976 1.00 0.00 H new ATOM 0 HA PHE A 69 -13.369 11.445 -12.058 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -12.694 12.793 -14.027 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -11.119 12.026 -14.032 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -14.780 11.254 -14.376 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.791 9.963 -15.234 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -15.660 9.457 -15.797 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -11.685 8.168 -16.653 1.00 0.00 H new ATOM 0 HZ PHE A 69 -14.119 7.910 -16.935 1.00 0.00 H new ATOM 1047 N PRO A 70 -10.213 10.147 -11.756 1.00 0.00 N ATOM 1048 CA PRO A 70 -9.532 8.941 -11.246 1.00 0.00 C ATOM 1049 C PRO A 70 -9.293 9.004 -9.701 1.00 0.00 C ATOM 1050 O PRO A 70 -10.183 8.634 -8.927 1.00 0.00 O ATOM 1051 CB PRO A 70 -8.227 8.897 -12.097 1.00 0.00 C ATOM 1052 CG PRO A 70 -8.005 10.320 -12.597 1.00 0.00 C ATOM 1053 CD PRO A 70 -9.197 11.159 -12.139 1.00 0.00 C ATOM 0 HA PRO A 70 -10.115 8.026 -11.352 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -7.382 8.557 -11.498 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.328 8.202 -12.930 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.075 10.726 -12.199 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.920 10.336 -13.684 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -8.935 11.801 -11.298 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.559 11.809 -12.936 1.00 0.00 H new ATOM 1061 N GLY A 71 -8.099 9.476 -9.258 1.00 0.00 N ATOM 1062 CA GLY A 71 -7.760 9.601 -7.825 1.00 0.00 C ATOM 1063 C GLY A 71 -7.488 8.274 -7.088 1.00 0.00 C ATOM 1064 O GLY A 71 -7.009 8.303 -5.946 1.00 0.00 O ATOM 0 H GLY A 71 -7.352 9.778 -9.883 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.878 10.235 -7.732 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.577 10.116 -7.320 1.00 0.00 H new ATOM 1068 N LEU A 72 -7.773 7.130 -7.758 1.00 0.00 N ATOM 1069 CA LEU A 72 -7.699 5.759 -7.180 1.00 0.00 C ATOM 1070 C LEU A 72 -8.724 5.537 -6.042 1.00 0.00 C ATOM 1071 O LEU A 72 -8.588 6.085 -4.940 1.00 0.00 O ATOM 1072 CB LEU A 72 -6.247 5.369 -6.727 1.00 0.00 C ATOM 1073 CG LEU A 72 -5.279 4.914 -7.865 1.00 0.00 C ATOM 1074 CD1 LEU A 72 -5.868 3.704 -8.622 1.00 0.00 C ATOM 1075 CD2 LEU A 72 -4.921 6.068 -8.829 1.00 0.00 C ATOM 0 H LEU A 72 -8.067 7.131 -8.735 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.971 5.084 -7.992 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.803 6.225 -6.219 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.319 4.565 -5.994 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.344 4.605 -7.397 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.181 3.399 -9.412 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.013 2.876 -7.928 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.826 3.981 -9.062 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.246 5.700 -9.602 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.830 6.450 -9.293 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.434 6.869 -8.273 1.00 0.00 H new ATOM 1087 N LYS A 73 -9.758 4.721 -6.324 1.00 0.00 N ATOM 1088 CA LYS A 73 -10.735 4.291 -5.307 1.00 0.00 C ATOM 1089 C LYS A 73 -10.332 2.910 -4.749 1.00 0.00 C ATOM 1090 O LYS A 73 -9.456 2.227 -5.307 1.00 0.00 O ATOM 1091 CB LYS A 73 -12.201 4.321 -5.867 1.00 0.00 C ATOM 1092 CG LYS A 73 -12.477 3.517 -7.175 1.00 0.00 C ATOM 1093 CD LYS A 73 -12.710 1.982 -6.992 1.00 0.00 C ATOM 1094 CE LYS A 73 -14.092 1.611 -6.410 1.00 0.00 C ATOM 1095 NZ LYS A 73 -14.294 2.048 -5.006 1.00 0.00 N ATOM 0 H LYS A 73 -9.938 4.345 -7.255 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.723 4.998 -4.478 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.868 3.944 -5.091 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.474 5.361 -6.045 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.354 3.943 -7.663 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.634 3.660 -7.852 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.593 1.491 -7.958 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.935 1.585 -6.337 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.868 2.055 -7.033 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.219 0.530 -6.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.953 1.398 -4.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.382 2.042 -4.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.689 3.010 -4.995 1.00 0.00 H new ATOM 1109 N ALA A 74 -10.978 2.514 -3.646 1.00 0.00 N ATOM 1110 CA ALA A 74 -10.675 1.261 -2.935 1.00 0.00 C ATOM 1111 C ALA A 74 -10.889 0.009 -3.828 1.00 0.00 C ATOM 1112 O ALA A 74 -11.969 -0.182 -4.400 1.00 0.00 O ATOM 1113 CB ALA A 74 -11.533 1.190 -1.674 1.00 0.00 C ATOM 0 H ALA A 74 -11.730 3.054 -3.218 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.619 1.263 -2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.317 0.265 -1.139 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.308 2.042 -1.032 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.587 1.212 -1.950 1.00 0.00 H new ATOM 1119 N GLY A 75 -9.838 -0.827 -3.932 1.00 0.00 N ATOM 1120 CA GLY A 75 -9.854 -2.036 -4.774 1.00 0.00 C ATOM 1121 C GLY A 75 -9.160 -1.880 -6.137 1.00 0.00 C ATOM 1122 O GLY A 75 -9.145 -2.830 -6.931 1.00 0.00 O ATOM 0 H GLY A 75 -8.958 -0.683 -3.436 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.374 -2.848 -4.228 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.890 -2.332 -4.941 1.00 0.00 H new ATOM 1126 N ASP A 76 -8.571 -0.697 -6.416 1.00 0.00 N ATOM 1127 CA ASP A 76 -7.756 -0.481 -7.635 1.00 0.00 C ATOM 1128 C ASP A 76 -6.238 -0.643 -7.351 1.00 0.00 C ATOM 1129 O ASP A 76 -5.626 0.188 -6.665 1.00 0.00 O ATOM 1130 CB ASP A 76 -8.029 0.921 -8.237 1.00 0.00 C ATOM 1131 CG ASP A 76 -9.446 1.126 -8.795 1.00 0.00 C ATOM 1132 OD1 ASP A 76 -10.108 0.137 -9.187 1.00 0.00 O ATOM 1133 OD2 ASP A 76 -9.886 2.291 -8.900 1.00 0.00 O ATOM 0 H ASP A 76 -8.644 0.124 -5.815 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.050 -1.245 -8.355 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -7.846 1.671 -7.468 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.311 1.102 -9.037 1.00 0.00 H new ATOM 1138 N ARG A 77 -5.638 -1.735 -7.866 1.00 0.00 N ATOM 1139 CA ARG A 77 -4.163 -1.901 -7.899 1.00 0.00 C ATOM 1140 C ARG A 77 -3.607 -1.336 -9.238 1.00 0.00 C ATOM 1141 O ARG A 77 -3.440 -2.049 -10.231 1.00 0.00 O ATOM 1142 CB ARG A 77 -3.801 -3.402 -7.682 1.00 0.00 C ATOM 1143 CG ARG A 77 -4.495 -4.380 -8.660 1.00 0.00 C ATOM 1144 CD ARG A 77 -4.236 -5.853 -8.326 1.00 0.00 C ATOM 1145 NE ARG A 77 -4.757 -6.757 -9.367 1.00 0.00 N ATOM 1146 CZ ARG A 77 -5.902 -7.406 -9.320 1.00 0.00 C ATOM 1147 NH1 ARG A 77 -6.738 -7.255 -8.332 1.00 0.00 N ATOM 1148 NH2 ARG A 77 -6.217 -8.190 -10.298 1.00 0.00 N ATOM 0 H ARG A 77 -6.151 -2.520 -8.267 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.696 -1.337 -7.091 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.721 -3.519 -7.777 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.064 -3.682 -6.662 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.569 -4.195 -8.648 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.148 -4.177 -9.673 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.164 -6.015 -8.209 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.701 -6.095 -7.370 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.180 -6.892 -10.197 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.513 -6.620 -7.566 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.617 -7.772 -8.324 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.583 -8.298 -11.089 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.100 -8.701 -10.278 1.00 0.00 H new ATOM 1162 N TRP A 78 -3.307 -0.031 -9.242 1.00 0.00 N ATOM 1163 CA TRP A 78 -3.036 0.723 -10.490 1.00 0.00 C ATOM 1164 C TRP A 78 -2.408 2.086 -10.146 1.00 0.00 C ATOM 1165 O TRP A 78 -3.032 2.874 -9.446 1.00 0.00 O ATOM 1166 CB TRP A 78 -4.394 0.908 -11.238 1.00 0.00 C ATOM 1167 CG TRP A 78 -4.340 1.572 -12.600 1.00 0.00 C ATOM 1168 CD1 TRP A 78 -4.032 0.978 -13.797 1.00 0.00 C ATOM 1169 CD2 TRP A 78 -4.653 2.945 -12.911 1.00 0.00 C ATOM 1170 NE1 TRP A 78 -4.130 1.893 -14.813 1.00 0.00 N ATOM 1171 CE2 TRP A 78 -4.505 3.105 -14.293 1.00 0.00 C ATOM 1172 CE3 TRP A 78 -5.038 4.053 -12.147 1.00 0.00 C ATOM 1173 CZ2 TRP A 78 -4.732 4.320 -14.931 1.00 0.00 C ATOM 1174 CZ3 TRP A 78 -5.261 5.263 -12.781 1.00 0.00 C ATOM 1175 CH2 TRP A 78 -5.107 5.387 -14.164 1.00 0.00 C ATOM 0 H TRP A 78 -3.244 0.534 -8.395 1.00 0.00 H new ATOM 0 HA TRP A 78 -2.335 0.184 -11.127 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -4.853 -0.074 -11.357 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -5.056 1.494 -10.600 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -3.753 -0.058 -13.921 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -3.952 1.702 -15.799 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -5.159 3.965 -11.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -4.615 4.417 -16.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -5.558 6.123 -12.199 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -5.287 6.342 -14.635 1.00 0.00 H new ATOM 1186 N CYS A 79 -1.165 2.345 -10.615 1.00 0.00 N ATOM 1187 CA CYS A 79 -0.434 3.632 -10.384 1.00 0.00 C ATOM 1188 C CYS A 79 -0.409 4.083 -8.888 1.00 0.00 C ATOM 1189 O CYS A 79 -0.186 5.262 -8.607 1.00 0.00 O ATOM 1190 CB CYS A 79 -1.040 4.755 -11.272 1.00 0.00 C ATOM 1191 SG CYS A 79 -0.918 4.449 -13.045 1.00 0.00 S ATOM 0 H CYS A 79 -0.632 1.672 -11.166 1.00 0.00 H new ATOM 0 HA CYS A 79 0.604 3.449 -10.663 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.090 4.883 -11.009 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -0.537 5.694 -11.042 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.453 5.440 -13.694 1.00 0.00 H new ATOM 1197 N LEU A 80 -0.594 3.121 -7.948 1.00 0.00 N ATOM 1198 CA LEU A 80 -0.816 3.406 -6.501 1.00 0.00 C ATOM 1199 C LEU A 80 0.363 4.200 -5.874 1.00 0.00 C ATOM 1200 O LEU A 80 0.144 5.032 -4.976 1.00 0.00 O ATOM 1201 CB LEU A 80 -1.108 2.049 -5.735 1.00 0.00 C ATOM 1202 CG LEU A 80 -1.502 2.108 -4.204 1.00 0.00 C ATOM 1203 CD1 LEU A 80 -0.279 2.223 -3.250 1.00 0.00 C ATOM 1204 CD2 LEU A 80 -2.533 3.228 -3.954 1.00 0.00 C ATOM 0 H LEU A 80 -0.594 2.125 -8.169 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.688 4.052 -6.400 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.913 1.538 -6.264 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.221 1.422 -5.824 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.963 1.150 -3.962 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.625 2.259 -2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.371 1.358 -3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.276 3.133 -3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.793 3.254 -2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.106 4.187 -4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.430 3.035 -4.543 1.00 0.00 H new ATOM 1216 N CYS A 81 1.584 3.966 -6.405 1.00 0.00 N ATOM 1217 CA CYS A 81 2.856 4.489 -5.856 1.00 0.00 C ATOM 1218 C CYS A 81 3.160 3.849 -4.486 1.00 0.00 C ATOM 1219 O CYS A 81 2.451 4.081 -3.503 1.00 0.00 O ATOM 1220 CB CYS A 81 2.903 6.032 -5.755 1.00 0.00 C ATOM 1221 SG CYS A 81 4.445 6.664 -5.032 1.00 0.00 S ATOM 0 H CYS A 81 1.716 3.398 -7.242 1.00 0.00 H new ATOM 0 HA CYS A 81 3.630 4.208 -6.570 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.777 6.457 -6.751 1.00 0.00 H new ATOM 0 HB3 CYS A 81 2.061 6.375 -5.153 1.00 0.00 H new ATOM 0 HG CYS A 81 4.402 7.962 -4.986 1.00 0.00 H new ATOM 1227 N ALA A 82 4.230 3.052 -4.444 1.00 0.00 N ATOM 1228 CA ALA A 82 4.593 2.223 -3.276 1.00 0.00 C ATOM 1229 C ALA A 82 4.822 3.049 -1.980 1.00 0.00 C ATOM 1230 O ALA A 82 4.583 2.558 -0.878 1.00 0.00 O ATOM 1231 CB ALA A 82 5.828 1.405 -3.628 1.00 0.00 C ATOM 0 H ALA A 82 4.880 2.958 -5.224 1.00 0.00 H new ATOM 0 HA ALA A 82 3.751 1.567 -3.054 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.110 0.787 -2.776 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.609 0.766 -4.484 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.650 2.076 -3.877 1.00 0.00 H new ATOM 1237 N SER A 83 5.269 4.308 -2.139 1.00 0.00 N ATOM 1238 CA SER A 83 5.479 5.253 -1.009 1.00 0.00 C ATOM 1239 C SER A 83 4.154 5.598 -0.270 1.00 0.00 C ATOM 1240 O SER A 83 4.156 5.826 0.942 1.00 0.00 O ATOM 1241 CB SER A 83 6.146 6.546 -1.529 1.00 0.00 C ATOM 1242 OG SER A 83 6.397 7.477 -0.487 1.00 0.00 O ATOM 0 H SER A 83 5.497 4.706 -3.050 1.00 0.00 H new ATOM 0 HA SER A 83 6.131 4.761 -0.287 1.00 0.00 H new ATOM 0 HB2 SER A 83 7.084 6.295 -2.023 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.504 7.007 -2.279 1.00 0.00 H new ATOM 0 HG SER A 83 6.820 8.279 -0.859 1.00 0.00 H new ATOM 1248 N ARG A 84 3.035 5.642 -1.021 1.00 0.00 N ATOM 1249 CA ARG A 84 1.679 5.901 -0.465 1.00 0.00 C ATOM 1250 C ARG A 84 1.218 4.746 0.467 1.00 0.00 C ATOM 1251 O ARG A 84 0.646 4.987 1.541 1.00 0.00 O ATOM 1252 CB ARG A 84 0.665 6.097 -1.624 1.00 0.00 C ATOM 1253 CG ARG A 84 -0.788 6.400 -1.181 1.00 0.00 C ATOM 1254 CD ARG A 84 -1.752 6.589 -2.371 1.00 0.00 C ATOM 1255 NE ARG A 84 -1.385 7.734 -3.220 1.00 0.00 N ATOM 1256 CZ ARG A 84 -1.953 8.064 -4.365 1.00 0.00 C ATOM 1257 NH1 ARG A 84 -2.900 7.338 -4.893 1.00 0.00 N ATOM 1258 NH2 ARG A 84 -1.543 9.124 -4.990 1.00 0.00 N ATOM 0 H ARG A 84 3.039 5.500 -2.031 1.00 0.00 H new ATOM 0 HA ARG A 84 1.724 6.811 0.134 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.013 6.913 -2.257 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.661 5.197 -2.239 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.149 5.585 -0.554 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.795 7.301 -0.568 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.760 5.682 -2.975 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.765 6.731 -1.994 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.622 8.327 -2.894 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.218 6.492 -4.420 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.322 7.616 -5.779 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.791 9.690 -4.596 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.972 9.392 -5.876 1.00 0.00 H new ATOM 1272 N TRP A 85 1.488 3.495 0.042 1.00 0.00 N ATOM 1273 CA TRP A 85 1.161 2.285 0.830 1.00 0.00 C ATOM 1274 C TRP A 85 2.060 2.189 2.093 1.00 0.00 C ATOM 1275 O TRP A 85 1.563 1.955 3.201 1.00 0.00 O ATOM 1276 CB TRP A 85 1.226 0.998 -0.082 1.00 0.00 C ATOM 1277 CG TRP A 85 1.788 -0.237 0.589 1.00 0.00 C ATOM 1278 CD1 TRP A 85 2.962 -0.843 0.286 1.00 0.00 C ATOM 1279 CD2 TRP A 85 1.237 -0.965 1.707 1.00 0.00 C ATOM 1280 NE1 TRP A 85 3.201 -1.871 1.157 1.00 0.00 N ATOM 1281 CE2 TRP A 85 2.150 -1.976 2.027 1.00 0.00 C ATOM 1282 CE3 TRP A 85 0.068 -0.856 2.464 1.00 0.00 C ATOM 1283 CZ2 TRP A 85 1.940 -2.865 3.078 1.00 0.00 C ATOM 1284 CZ3 TRP A 85 -0.137 -1.743 3.499 1.00 0.00 C ATOM 1285 CH2 TRP A 85 0.794 -2.737 3.801 1.00 0.00 C ATOM 0 H TRP A 85 1.936 3.294 -0.852 1.00 0.00 H new ATOM 0 HA TRP A 85 0.135 2.358 1.192 1.00 0.00 H new ATOM 0 HB2 TRP A 85 0.221 0.773 -0.438 1.00 0.00 H new ATOM 0 HB3 TRP A 85 1.832 1.224 -0.959 1.00 0.00 H new ATOM 0 HD1 TRP A 85 3.614 -0.556 -0.525 1.00 0.00 H new ATOM 0 HE1 TRP A 85 4.031 -2.465 1.158 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -0.662 -0.091 2.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 2.664 -3.632 3.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -1.038 -1.667 4.089 1.00 0.00 H new ATOM 0 HH2 TRP A 85 0.603 -3.415 4.620 1.00 0.00 H new ATOM 1296 N GLN A 86 3.378 2.343 1.897 1.00 0.00 N ATOM 1297 CA GLN A 86 4.383 2.334 2.992 1.00 0.00 C ATOM 1298 C GLN A 86 4.015 3.348 4.106 1.00 0.00 C ATOM 1299 O GLN A 86 4.073 3.033 5.299 1.00 0.00 O ATOM 1300 CB GLN A 86 5.778 2.639 2.380 1.00 0.00 C ATOM 1301 CG GLN A 86 6.966 2.772 3.368 1.00 0.00 C ATOM 1302 CD GLN A 86 7.166 1.581 4.308 1.00 0.00 C ATOM 1303 OE1 GLN A 86 7.896 0.656 4.001 1.00 0.00 O ATOM 1304 NE2 GLN A 86 6.537 1.602 5.466 1.00 0.00 N ATOM 0 H GLN A 86 3.788 2.479 0.973 1.00 0.00 H new ATOM 0 HA GLN A 86 4.401 1.352 3.465 1.00 0.00 H new ATOM 0 HB2 GLN A 86 6.016 1.848 1.668 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.704 3.567 1.813 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.881 2.919 2.794 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.819 3.669 3.970 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.930 2.387 5.703 1.00 0.00 H new ATOM 0 HE22 GLN A 86 6.657 0.833 6.126 1.00 0.00 H new ATOM 1313 N GLU A 87 3.559 4.537 3.686 1.00 0.00 N ATOM 1314 CA GLU A 87 3.154 5.620 4.607 1.00 0.00 C ATOM 1315 C GLU A 87 1.927 5.235 5.478 1.00 0.00 C ATOM 1316 O GLU A 87 1.757 5.766 6.575 1.00 0.00 O ATOM 1317 CB GLU A 87 2.903 6.926 3.812 1.00 0.00 C ATOM 1318 CG GLU A 87 2.702 8.185 4.678 1.00 0.00 C ATOM 1319 CD GLU A 87 2.691 9.479 3.853 1.00 0.00 C ATOM 1320 OE1 GLU A 87 3.775 10.044 3.601 1.00 0.00 O ATOM 1321 OE2 GLU A 87 1.605 9.923 3.433 1.00 0.00 O ATOM 0 H GLU A 87 3.459 4.779 2.700 1.00 0.00 H new ATOM 0 HA GLU A 87 3.975 5.787 5.304 1.00 0.00 H new ATOM 0 HB2 GLU A 87 3.747 7.094 3.143 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.021 6.789 3.186 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.762 8.099 5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.498 8.240 5.421 1.00 0.00 H new ATOM 1328 N ALA A 88 1.097 4.287 4.996 1.00 0.00 N ATOM 1329 CA ALA A 88 -0.071 3.773 5.752 1.00 0.00 C ATOM 1330 C ALA A 88 0.370 2.955 6.988 1.00 0.00 C ATOM 1331 O ALA A 88 -0.240 3.050 8.055 1.00 0.00 O ATOM 1332 CB ALA A 88 -0.962 2.922 4.842 1.00 0.00 C ATOM 0 H ALA A 88 1.213 3.857 4.079 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.642 4.631 6.106 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.815 2.552 5.411 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.317 3.529 4.009 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.389 2.078 4.457 1.00 0.00 H new ATOM 1338 N PHE A 89 1.428 2.138 6.816 1.00 0.00 N ATOM 1339 CA PHE A 89 2.064 1.389 7.926 1.00 0.00 C ATOM 1340 C PHE A 89 2.708 2.363 8.939 1.00 0.00 C ATOM 1341 O PHE A 89 2.575 2.195 10.157 1.00 0.00 O ATOM 1342 CB PHE A 89 3.127 0.413 7.359 1.00 0.00 C ATOM 1343 CG PHE A 89 3.849 -0.453 8.406 1.00 0.00 C ATOM 1344 CD1 PHE A 89 3.307 -1.670 8.834 1.00 0.00 C ATOM 1345 CD2 PHE A 89 5.077 -0.056 8.953 1.00 0.00 C ATOM 1346 CE1 PHE A 89 3.962 -2.451 9.768 1.00 0.00 C ATOM 1347 CE2 PHE A 89 5.732 -0.842 9.887 1.00 0.00 C ATOM 1348 CZ PHE A 89 5.174 -2.039 10.292 1.00 0.00 C ATOM 0 H PHE A 89 1.867 1.977 5.909 1.00 0.00 H new ATOM 0 HA PHE A 89 1.299 0.814 8.448 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.643 -0.246 6.638 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.873 0.991 6.813 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.363 -2.004 8.429 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.520 0.878 8.641 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.526 -3.385 10.089 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.677 -0.519 10.298 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.685 -2.654 11.018 1.00 0.00 H new ATOM 1358 N GLU A 90 3.401 3.382 8.402 1.00 0.00 N ATOM 1359 CA GLU A 90 4.075 4.437 9.199 1.00 0.00 C ATOM 1360 C GLU A 90 3.047 5.351 9.929 1.00 0.00 C ATOM 1361 O GLU A 90 3.369 5.992 10.932 1.00 0.00 O ATOM 1362 CB GLU A 90 4.998 5.274 8.268 1.00 0.00 C ATOM 1363 CG GLU A 90 6.032 4.437 7.477 1.00 0.00 C ATOM 1364 CD GLU A 90 6.878 5.262 6.480 1.00 0.00 C ATOM 1365 OE1 GLU A 90 6.303 6.041 5.692 1.00 0.00 O ATOM 1366 OE2 GLU A 90 8.119 5.147 6.486 1.00 0.00 O ATOM 0 H GLU A 90 3.514 3.503 7.395 1.00 0.00 H new ATOM 0 HA GLU A 90 4.678 3.958 9.971 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.378 5.826 7.562 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.529 6.012 8.870 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.700 3.943 8.182 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.508 3.653 6.931 1.00 0.00 H new ATOM 1373 N ALA A 91 1.805 5.390 9.400 1.00 0.00 N ATOM 1374 CA ALA A 91 0.654 6.083 10.036 1.00 0.00 C ATOM 1375 C ALA A 91 -0.029 5.208 11.130 1.00 0.00 C ATOM 1376 O ALA A 91 -0.964 5.667 11.802 1.00 0.00 O ATOM 1377 CB ALA A 91 -0.370 6.476 8.953 1.00 0.00 C ATOM 0 H ALA A 91 1.567 4.941 8.516 1.00 0.00 H new ATOM 0 HA ALA A 91 1.034 6.977 10.532 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.215 6.984 9.418 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.102 7.143 8.231 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.722 5.579 8.443 1.00 0.00 H new ATOM 1383 N GLY A 92 0.450 3.954 11.291 1.00 0.00 N ATOM 1384 CA GLY A 92 -0.114 3.000 12.260 1.00 0.00 C ATOM 1385 C GLY A 92 -1.429 2.369 11.792 1.00 0.00 C ATOM 1386 O GLY A 92 -2.370 2.208 12.577 1.00 0.00 O ATOM 0 H GLY A 92 1.233 3.581 10.755 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.614 2.210 12.448 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.281 3.511 13.208 1.00 0.00 H new ATOM 1390 N MET A 93 -1.494 2.012 10.496 1.00 0.00 N ATOM 1391 CA MET A 93 -2.692 1.390 9.876 1.00 0.00 C ATOM 1392 C MET A 93 -2.305 0.118 9.082 1.00 0.00 C ATOM 1393 O MET A 93 -2.475 -1.001 9.581 1.00 0.00 O ATOM 1394 CB MET A 93 -3.421 2.416 8.947 1.00 0.00 C ATOM 1395 CG MET A 93 -3.995 3.667 9.651 1.00 0.00 C ATOM 1396 SD MET A 93 -5.733 3.505 10.156 1.00 0.00 S ATOM 1397 CE MET A 93 -5.697 2.297 11.483 1.00 0.00 C ATOM 0 H MET A 93 -0.721 2.144 9.844 1.00 0.00 H new ATOM 0 HA MET A 93 -3.375 1.097 10.673 1.00 0.00 H new ATOM 0 HB2 MET A 93 -2.721 2.743 8.178 1.00 0.00 H new ATOM 0 HB3 MET A 93 -4.236 1.902 8.438 1.00 0.00 H new ATOM 0 HG2 MET A 93 -3.391 3.884 10.532 1.00 0.00 H new ATOM 0 HG3 MET A 93 -3.901 4.522 8.982 1.00 0.00 H new ATOM 0 HE1 MET A 93 -6.604 2.387 12.082 1.00 0.00 H new ATOM 0 HE2 MET A 93 -5.639 1.294 11.060 1.00 0.00 H new ATOM 0 HE3 MET A 93 -4.826 2.476 12.114 1.00 0.00 H new ATOM 1407 N ALA A 94 -1.750 0.324 7.861 1.00 0.00 N ATOM 1408 CA ALA A 94 -1.398 -0.752 6.903 1.00 0.00 C ATOM 1409 C ALA A 94 -2.620 -1.639 6.520 1.00 0.00 C ATOM 1410 O ALA A 94 -2.964 -2.559 7.256 1.00 0.00 O ATOM 1411 CB ALA A 94 -0.226 -1.618 7.421 1.00 0.00 C ATOM 0 H ALA A 94 -1.532 1.257 7.510 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.071 -0.251 5.992 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.002 -2.395 6.692 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.653 -0.990 7.569 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.506 -2.080 8.368 1.00 0.00 H new ATOM 1417 N PRO A 95 -3.332 -1.337 5.392 1.00 0.00 N ATOM 1418 CA PRO A 95 -4.379 -2.244 4.837 1.00 0.00 C ATOM 1419 C PRO A 95 -3.773 -3.501 4.125 1.00 0.00 C ATOM 1420 O PRO A 95 -2.598 -3.491 3.752 1.00 0.00 O ATOM 1421 CB PRO A 95 -5.121 -1.321 3.837 1.00 0.00 C ATOM 1422 CG PRO A 95 -4.078 -0.359 3.380 1.00 0.00 C ATOM 1423 CD PRO A 95 -3.222 -0.082 4.601 1.00 0.00 C ATOM 0 HA PRO A 95 -5.024 -2.668 5.607 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -5.532 -1.888 3.002 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -5.955 -0.806 4.314 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -3.482 -0.781 2.570 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -4.529 0.558 3.000 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.189 0.131 4.327 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -3.587 0.779 5.161 1.00 0.00 H new ATOM 1431 N PRO A 96 -4.551 -4.626 3.971 1.00 0.00 N ATOM 1432 CA PRO A 96 -4.084 -5.820 3.207 1.00 0.00 C ATOM 1433 C PRO A 96 -3.745 -5.500 1.719 1.00 0.00 C ATOM 1434 O PRO A 96 -4.638 -5.185 0.920 1.00 0.00 O ATOM 1435 CB PRO A 96 -5.273 -6.819 3.334 1.00 0.00 C ATOM 1436 CG PRO A 96 -6.024 -6.364 4.552 1.00 0.00 C ATOM 1437 CD PRO A 96 -5.901 -4.854 4.558 1.00 0.00 C ATOM 0 HA PRO A 96 -3.148 -6.217 3.600 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -5.906 -6.796 2.447 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.919 -7.844 3.447 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -7.068 -6.673 4.508 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -5.601 -6.796 5.459 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.684 -4.383 3.964 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.977 -4.447 5.566 1.00 0.00 H new ATOM 1445 N VAL A 97 -2.443 -5.571 1.375 1.00 0.00 N ATOM 1446 CA VAL A 97 -1.926 -5.261 0.016 1.00 0.00 C ATOM 1447 C VAL A 97 -1.786 -6.555 -0.847 1.00 0.00 C ATOM 1448 O VAL A 97 -1.554 -7.655 -0.331 1.00 0.00 O ATOM 1449 CB VAL A 97 -0.551 -4.480 0.121 1.00 0.00 C ATOM 1450 CG1 VAL A 97 0.484 -5.263 0.956 1.00 0.00 C ATOM 1451 CG2 VAL A 97 0.036 -4.106 -1.266 1.00 0.00 C ATOM 0 H VAL A 97 -1.713 -5.846 2.032 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.646 -4.618 -0.489 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.774 -3.546 0.636 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.414 -4.697 1.006 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.098 -5.416 1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.672 -6.230 0.489 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.977 -3.573 -1.131 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.212 -5.014 -1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.669 -3.468 -1.799 1.00 0.00 H new ATOM 1461 N VAL A 98 -1.957 -6.392 -2.169 1.00 0.00 N ATOM 1462 CA VAL A 98 -2.010 -7.507 -3.145 1.00 0.00 C ATOM 1463 C VAL A 98 -0.586 -8.046 -3.542 1.00 0.00 C ATOM 1464 O VAL A 98 0.057 -7.576 -4.485 1.00 0.00 O ATOM 1465 CB VAL A 98 -2.859 -7.056 -4.401 1.00 0.00 C ATOM 1466 CG1 VAL A 98 -2.250 -5.818 -5.107 1.00 0.00 C ATOM 1467 CG2 VAL A 98 -3.086 -8.215 -5.390 1.00 0.00 C ATOM 0 H VAL A 98 -2.064 -5.474 -2.601 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.503 -8.355 -2.671 1.00 0.00 H new ATOM 0 HB VAL A 98 -3.836 -6.758 -4.022 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.868 -5.547 -5.963 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.211 -4.983 -4.408 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -1.242 -6.053 -5.448 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.673 -7.861 -6.237 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.124 -8.584 -5.745 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.622 -9.021 -4.889 1.00 0.00 H new ATOM 1477 N LEU A 99 -0.110 -9.069 -2.806 1.00 0.00 N ATOM 1478 CA LEU A 99 1.241 -9.681 -3.021 1.00 0.00 C ATOM 1479 C LEU A 99 1.342 -10.501 -4.335 1.00 0.00 C ATOM 1480 O LEU A 99 2.447 -10.700 -4.851 1.00 0.00 O ATOM 1481 CB LEU A 99 1.662 -10.539 -1.770 1.00 0.00 C ATOM 1482 CG LEU A 99 2.487 -9.785 -0.668 1.00 0.00 C ATOM 1483 CD1 LEU A 99 3.941 -9.537 -1.132 1.00 0.00 C ATOM 1484 CD2 LEU A 99 1.814 -8.457 -0.282 1.00 0.00 C ATOM 0 H LEU A 99 -0.638 -9.501 -2.047 1.00 0.00 H new ATOM 0 HA LEU A 99 1.946 -8.857 -3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.760 -10.941 -1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.249 -11.389 -2.118 1.00 0.00 H new ATOM 0 HG LEU A 99 2.514 -10.424 0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.489 -9.013 -0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.425 -10.492 -1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.935 -8.931 -2.038 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.408 -7.957 0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.742 -7.817 -1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.815 -8.655 0.106 1.00 0.00 H new ATOM 1496 N GLN A 100 0.196 -10.958 -4.873 1.00 0.00 N ATOM 1497 CA GLN A 100 0.155 -11.708 -6.160 1.00 0.00 C ATOM 1498 C GLN A 100 0.383 -10.789 -7.391 1.00 0.00 C ATOM 1499 O GLN A 100 0.684 -11.282 -8.483 1.00 0.00 O ATOM 1500 CB GLN A 100 -1.204 -12.450 -6.321 1.00 0.00 C ATOM 1501 CG GLN A 100 -2.439 -11.526 -6.417 1.00 0.00 C ATOM 1502 CD GLN A 100 -3.741 -12.236 -6.778 1.00 0.00 C ATOM 1503 OE1 GLN A 100 -3.946 -13.402 -6.453 1.00 0.00 O ATOM 1504 NE2 GLN A 100 -4.643 -11.532 -7.439 1.00 0.00 N ATOM 0 H GLN A 100 -0.719 -10.825 -4.442 1.00 0.00 H new ATOM 0 HA GLN A 100 0.971 -12.430 -6.122 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.160 -13.069 -7.217 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.337 -13.124 -5.475 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.571 -11.018 -5.462 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -2.242 -10.756 -7.163 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -4.447 -10.565 -7.697 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -5.536 -11.956 -7.692 1.00 0.00 H new ATOM 1513 N SER A 101 0.221 -9.464 -7.214 1.00 0.00 N ATOM 1514 CA SER A 101 0.279 -8.484 -8.334 1.00 0.00 C ATOM 1515 C SER A 101 1.315 -7.358 -8.102 1.00 0.00 C ATOM 1516 O SER A 101 1.523 -6.528 -8.995 1.00 0.00 O ATOM 1517 CB SER A 101 -1.127 -7.882 -8.572 1.00 0.00 C ATOM 1518 OG SER A 101 -2.058 -8.874 -9.003 1.00 0.00 O ATOM 0 H SER A 101 0.048 -9.038 -6.303 1.00 0.00 H new ATOM 0 HA SER A 101 0.608 -9.027 -9.220 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.486 -7.421 -7.652 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.063 -7.092 -9.321 1.00 0.00 H new ATOM 0 HG SER A 101 -2.820 -8.440 -9.441 1.00 0.00 H new ATOM 1524 N THR A 102 1.964 -7.315 -6.917 1.00 0.00 N ATOM 1525 CA THR A 102 2.998 -6.284 -6.618 1.00 0.00 C ATOM 1526 C THR A 102 4.293 -6.531 -7.430 1.00 0.00 C ATOM 1527 O THR A 102 4.856 -7.628 -7.397 1.00 0.00 O ATOM 1528 CB THR A 102 3.336 -6.200 -5.088 1.00 0.00 C ATOM 1529 OG1 THR A 102 2.162 -5.851 -4.335 1.00 0.00 O ATOM 1530 CG2 THR A 102 4.429 -5.158 -4.789 1.00 0.00 C ATOM 0 H THR A 102 1.797 -7.973 -6.155 1.00 0.00 H new ATOM 0 HA THR A 102 2.569 -5.328 -6.918 1.00 0.00 H new ATOM 0 HB THR A 102 3.702 -7.184 -4.796 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.480 -6.545 -4.452 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.628 -5.137 -3.718 1.00 0.00 H new ATOM 0 HG22 THR A 102 5.341 -5.425 -5.322 1.00 0.00 H new ATOM 0 HG23 THR A 102 4.092 -4.174 -5.115 1.00 0.00 H new ATOM 1538 N GLU A 103 4.746 -5.492 -8.161 1.00 0.00 N ATOM 1539 CA GLU A 103 5.965 -5.551 -8.999 1.00 0.00 C ATOM 1540 C GLU A 103 7.250 -5.241 -8.171 1.00 0.00 C ATOM 1541 O GLU A 103 7.186 -4.591 -7.121 1.00 0.00 O ATOM 1542 CB GLU A 103 5.804 -4.562 -10.190 1.00 0.00 C ATOM 1543 CG GLU A 103 6.928 -4.599 -11.250 1.00 0.00 C ATOM 1544 CD GLU A 103 7.044 -5.959 -11.962 1.00 0.00 C ATOM 1545 OE1 GLU A 103 6.326 -6.186 -12.959 1.00 0.00 O ATOM 1546 OE2 GLU A 103 7.846 -6.809 -11.519 1.00 0.00 O ATOM 0 H GLU A 103 4.277 -4.586 -8.188 1.00 0.00 H new ATOM 0 HA GLU A 103 6.084 -6.564 -9.383 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.856 -4.771 -10.686 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.739 -3.550 -9.791 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.745 -3.822 -11.992 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.879 -4.364 -10.771 1.00 0.00 H new ATOM 1553 N LYS A 104 8.411 -5.708 -8.682 1.00 0.00 N ATOM 1554 CA LYS A 104 9.739 -5.582 -8.025 1.00 0.00 C ATOM 1555 C LYS A 104 10.150 -4.109 -7.734 1.00 0.00 C ATOM 1556 O LYS A 104 10.841 -3.834 -6.742 1.00 0.00 O ATOM 1557 CB LYS A 104 10.803 -6.284 -8.928 1.00 0.00 C ATOM 1558 CG LYS A 104 12.228 -6.387 -8.337 1.00 0.00 C ATOM 1559 CD LYS A 104 12.253 -7.089 -6.960 1.00 0.00 C ATOM 1560 CE LYS A 104 11.743 -8.547 -6.990 1.00 0.00 C ATOM 1561 NZ LYS A 104 12.609 -9.429 -7.812 1.00 0.00 N ATOM 0 H LYS A 104 8.456 -6.192 -9.579 1.00 0.00 H new ATOM 0 HA LYS A 104 9.678 -6.065 -7.050 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.451 -7.290 -9.155 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.861 -5.745 -9.874 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.866 -6.934 -9.031 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.649 -5.387 -8.238 1.00 0.00 H new ATOM 0 HD2 LYS A 104 13.273 -7.079 -6.577 1.00 0.00 H new ATOM 0 HD3 LYS A 104 11.645 -6.516 -6.260 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.696 -8.934 -5.972 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.728 -8.567 -7.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 12.228 -10.397 -7.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 12.635 -9.077 -8.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 13.572 -9.433 -7.420 1.00 0.00 H new ATOM 1575 N SER A 105 9.711 -3.175 -8.598 1.00 0.00 N ATOM 1576 CA SER A 105 9.987 -1.716 -8.431 1.00 0.00 C ATOM 1577 C SER A 105 9.402 -1.139 -7.112 1.00 0.00 C ATOM 1578 O SER A 105 9.952 -0.186 -6.559 1.00 0.00 O ATOM 1579 CB SER A 105 9.441 -0.909 -9.630 1.00 0.00 C ATOM 1580 OG SER A 105 10.100 -1.234 -10.847 1.00 0.00 O ATOM 0 H SER A 105 9.159 -3.396 -9.427 1.00 0.00 H new ATOM 0 HA SER A 105 11.072 -1.618 -8.385 1.00 0.00 H new ATOM 0 HB2 SER A 105 8.373 -1.099 -9.736 1.00 0.00 H new ATOM 0 HB3 SER A 105 9.557 0.156 -9.430 1.00 0.00 H new ATOM 0 HG SER A 105 9.721 -0.701 -11.577 1.00 0.00 H new ATOM 1586 N ALA A 106 8.294 -1.734 -6.621 1.00 0.00 N ATOM 1587 CA ALA A 106 7.631 -1.311 -5.359 1.00 0.00 C ATOM 1588 C ALA A 106 8.517 -1.561 -4.105 1.00 0.00 C ATOM 1589 O ALA A 106 8.444 -0.816 -3.116 1.00 0.00 O ATOM 1590 CB ALA A 106 6.272 -2.023 -5.219 1.00 0.00 C ATOM 0 H ALA A 106 7.832 -2.518 -7.082 1.00 0.00 H new ATOM 0 HA ALA A 106 7.473 -0.234 -5.416 1.00 0.00 H new ATOM 0 HB1 ALA A 106 5.791 -1.709 -4.293 1.00 0.00 H new ATOM 0 HB2 ALA A 106 5.636 -1.762 -6.065 1.00 0.00 H new ATOM 0 HB3 ALA A 106 6.427 -3.102 -5.200 1.00 0.00 H new ATOM 1596 N LEU A 107 9.366 -2.603 -4.177 1.00 0.00 N ATOM 1597 CA LEU A 107 10.291 -2.995 -3.080 1.00 0.00 C ATOM 1598 C LEU A 107 11.394 -1.932 -2.843 1.00 0.00 C ATOM 1599 O LEU A 107 11.930 -1.827 -1.741 1.00 0.00 O ATOM 1600 CB LEU A 107 10.942 -4.384 -3.377 1.00 0.00 C ATOM 1601 CG LEU A 107 10.036 -5.651 -3.193 1.00 0.00 C ATOM 1602 CD1 LEU A 107 8.813 -5.661 -4.139 1.00 0.00 C ATOM 1603 CD2 LEU A 107 10.872 -6.944 -3.356 1.00 0.00 C ATOM 0 H LEU A 107 9.435 -3.204 -4.998 1.00 0.00 H new ATOM 0 HA LEU A 107 9.696 -3.066 -2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 107 11.306 -4.374 -4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 107 11.813 -4.494 -2.731 1.00 0.00 H new ATOM 0 HG LEU A 107 9.639 -5.610 -2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 107 8.225 -6.562 -3.964 1.00 0.00 H new ATOM 0 HD12 LEU A 107 8.197 -4.783 -3.946 1.00 0.00 H new ATOM 0 HD13 LEU A 107 9.154 -5.645 -5.174 1.00 0.00 H new ATOM 0 HD21 LEU A 107 10.227 -7.813 -3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 107 11.315 -6.968 -4.352 1.00 0.00 H new ATOM 0 HD23 LEU A 107 11.663 -6.963 -2.606 1.00 0.00 H new ATOM 1615 N ARG A 108 11.708 -1.134 -3.875 1.00 0.00 N ATOM 1616 CA ARG A 108 12.722 -0.052 -3.780 1.00 0.00 C ATOM 1617 C ARG A 108 12.243 1.105 -2.857 1.00 0.00 C ATOM 1618 O ARG A 108 13.045 1.920 -2.394 1.00 0.00 O ATOM 1619 CB ARG A 108 13.065 0.485 -5.198 1.00 0.00 C ATOM 1620 CG ARG A 108 13.431 -0.616 -6.229 1.00 0.00 C ATOM 1621 CD ARG A 108 14.124 -0.058 -7.494 1.00 0.00 C ATOM 1622 NE ARG A 108 15.555 0.232 -7.253 1.00 0.00 N ATOM 1623 CZ ARG A 108 16.196 1.346 -7.558 1.00 0.00 C ATOM 1624 NH1 ARG A 108 15.571 2.396 -7.992 1.00 0.00 N ATOM 1625 NH2 ARG A 108 17.473 1.408 -7.370 1.00 0.00 N ATOM 0 H ARG A 108 11.275 -1.212 -4.795 1.00 0.00 H new ATOM 0 HA ARG A 108 13.622 -0.474 -3.333 1.00 0.00 H new ATOM 0 HB2 ARG A 108 12.213 1.050 -5.575 1.00 0.00 H new ATOM 0 HB3 ARG A 108 13.899 1.182 -5.117 1.00 0.00 H new ATOM 0 HG2 ARG A 108 14.087 -1.346 -5.755 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.525 -1.146 -6.523 1.00 0.00 H new ATOM 0 HD2 ARG A 108 14.031 -0.778 -8.307 1.00 0.00 H new ATOM 0 HD3 ARG A 108 13.617 0.852 -7.815 1.00 0.00 H new ATOM 0 HE ARG A 108 16.102 -0.503 -6.806 1.00 0.00 H new ATOM 0 HH11 ARG A 108 14.558 2.376 -8.106 1.00 0.00 H new ATOM 0 HH12 ARG A 108 16.093 3.242 -8.220 1.00 0.00 H new ATOM 0 HH21 ARG A 108 17.972 0.603 -6.991 1.00 0.00 H new ATOM 0 HH22 ARG A 108 17.982 2.261 -7.601 1.00 0.00 H new ATOM 1639 N TYR A 109 10.917 1.159 -2.608 1.00 0.00 N ATOM 1640 CA TYR A 109 10.274 2.186 -1.762 1.00 0.00 C ATOM 1641 C TYR A 109 9.928 1.611 -0.366 1.00 0.00 C ATOM 1642 O TYR A 109 10.321 2.179 0.660 1.00 0.00 O ATOM 1643 CB TYR A 109 8.981 2.711 -2.453 1.00 0.00 C ATOM 1644 CG TYR A 109 9.200 3.323 -3.847 1.00 0.00 C ATOM 1645 CD1 TYR A 109 9.524 2.517 -4.944 1.00 0.00 C ATOM 1646 CD2 TYR A 109 9.085 4.698 -4.071 1.00 0.00 C ATOM 1647 CE1 TYR A 109 9.726 3.051 -6.196 1.00 0.00 C ATOM 1648 CE2 TYR A 109 9.286 5.240 -5.328 1.00 0.00 C ATOM 1649 CZ TYR A 109 9.605 4.413 -6.387 1.00 0.00 C ATOM 1650 OH TYR A 109 9.810 4.943 -7.641 1.00 0.00 O ATOM 0 H TYR A 109 10.257 0.484 -2.993 1.00 0.00 H new ATOM 0 HA TYR A 109 10.974 3.011 -1.632 1.00 0.00 H new ATOM 0 HB2 TYR A 109 8.272 1.888 -2.540 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.521 3.461 -1.810 1.00 0.00 H new ATOM 0 HD1 TYR A 109 9.618 1.450 -4.805 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.834 5.350 -3.247 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.978 2.407 -7.026 1.00 0.00 H new ATOM 0 HE2 TYR A 109 9.194 6.305 -5.480 1.00 0.00 H new ATOM 0 HH TYR A 109 9.687 5.915 -7.610 1.00 0.00 H new ATOM 1660 N VAL A 110 9.201 0.469 -0.335 1.00 0.00 N ATOM 1661 CA VAL A 110 8.656 -0.108 0.937 1.00 0.00 C ATOM 1662 C VAL A 110 9.538 -1.255 1.473 1.00 0.00 C ATOM 1663 O VAL A 110 9.705 -1.389 2.692 1.00 0.00 O ATOM 1664 CB VAL A 110 7.141 -0.602 0.786 1.00 0.00 C ATOM 1665 CG1 VAL A 110 6.474 0.000 -0.435 1.00 0.00 C ATOM 1666 CG2 VAL A 110 6.941 -2.127 0.751 1.00 0.00 C ATOM 0 H VAL A 110 8.974 -0.076 -1.167 1.00 0.00 H new ATOM 0 HA VAL A 110 8.670 0.705 1.663 1.00 0.00 H new ATOM 0 HB VAL A 110 6.671 -0.245 1.702 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.447 -0.359 -0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 110 6.473 1.087 -0.351 1.00 0.00 H new ATOM 0 HG13 VAL A 110 7.021 -0.294 -1.331 1.00 0.00 H new ATOM 0 HG21 VAL A 110 5.880 -2.352 0.646 1.00 0.00 H new ATOM 0 HG22 VAL A 110 7.486 -2.546 -0.095 1.00 0.00 H new ATOM 0 HG23 VAL A 110 7.315 -2.564 1.677 1.00 0.00 H new ATOM 1676 N SER A 111 10.074 -2.055 0.520 1.00 0.00 N ATOM 1677 CA SER A 111 10.722 -3.374 0.765 1.00 0.00 C ATOM 1678 C SER A 111 9.671 -4.445 1.103 1.00 0.00 C ATOM 1679 O SER A 111 8.804 -4.212 1.934 1.00 0.00 O ATOM 1680 CB SER A 111 11.793 -3.303 1.867 1.00 0.00 C ATOM 1681 OG SER A 111 12.359 -4.575 2.156 1.00 0.00 O ATOM 0 H SER A 111 10.069 -1.798 -0.467 1.00 0.00 H new ATOM 0 HA SER A 111 11.227 -3.656 -0.159 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.583 -2.619 1.558 1.00 0.00 H new ATOM 0 HB3 SER A 111 11.350 -2.891 2.774 1.00 0.00 H new ATOM 0 HG SER A 111 13.034 -4.480 2.860 1.00 0.00 H new ATOM 1687 N LEU A 112 9.791 -5.627 0.483 1.00 0.00 N ATOM 1688 CA LEU A 112 8.815 -6.749 0.615 1.00 0.00 C ATOM 1689 C LEU A 112 8.375 -7.044 2.077 1.00 0.00 C ATOM 1690 O LEU A 112 7.242 -7.469 2.298 1.00 0.00 O ATOM 1691 CB LEU A 112 9.395 -8.014 -0.096 1.00 0.00 C ATOM 1692 CG LEU A 112 8.654 -9.397 0.096 1.00 0.00 C ATOM 1693 CD1 LEU A 112 8.800 -10.294 -1.151 1.00 0.00 C ATOM 1694 CD2 LEU A 112 9.159 -10.155 1.359 1.00 0.00 C ATOM 0 H LEU A 112 10.573 -5.846 -0.134 1.00 0.00 H new ATOM 0 HA LEU A 112 7.893 -6.441 0.122 1.00 0.00 H new ATOM 0 HB2 LEU A 112 9.433 -7.805 -1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 112 10.424 -8.140 0.241 1.00 0.00 H new ATOM 0 HG LEU A 112 7.598 -9.167 0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 112 8.279 -11.237 -0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.369 -9.789 -2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 112 9.856 -10.491 -1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 112 8.624 -11.100 1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.227 -10.350 1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 112 8.980 -9.546 2.245 1.00 0.00 H new ATOM 1706 N ALA A 113 9.255 -6.774 3.057 1.00 0.00 N ATOM 1707 CA ALA A 113 8.962 -7.024 4.489 1.00 0.00 C ATOM 1708 C ALA A 113 7.736 -6.211 4.984 1.00 0.00 C ATOM 1709 O ALA A 113 6.956 -6.694 5.803 1.00 0.00 O ATOM 1710 CB ALA A 113 10.198 -6.703 5.333 1.00 0.00 C ATOM 0 H ALA A 113 10.181 -6.381 2.887 1.00 0.00 H new ATOM 0 HA ALA A 113 8.710 -8.079 4.601 1.00 0.00 H new ATOM 0 HB1 ALA A 113 9.979 -6.888 6.385 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.028 -7.336 5.019 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.469 -5.656 5.198 1.00 0.00 H new ATOM 1716 N ASP A 114 7.573 -4.986 4.447 1.00 0.00 N ATOM 1717 CA ASP A 114 6.433 -4.104 4.759 1.00 0.00 C ATOM 1718 C ASP A 114 5.130 -4.610 4.074 1.00 0.00 C ATOM 1719 O ASP A 114 4.058 -4.593 4.690 1.00 0.00 O ATOM 1720 CB ASP A 114 6.782 -2.666 4.322 1.00 0.00 C ATOM 1721 CG ASP A 114 5.719 -1.633 4.710 1.00 0.00 C ATOM 1722 OD1 ASP A 114 5.695 -1.244 5.892 1.00 0.00 O ATOM 1723 OD2 ASP A 114 4.930 -1.198 3.838 1.00 0.00 O ATOM 0 H ASP A 114 8.231 -4.580 3.782 1.00 0.00 H new ATOM 0 HA ASP A 114 6.247 -4.114 5.833 1.00 0.00 H new ATOM 0 HB2 ASP A 114 7.734 -2.380 4.768 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.918 -2.647 3.241 1.00 0.00 H new ATOM 1728 N LEU A 115 5.248 -5.081 2.803 1.00 0.00 N ATOM 1729 CA LEU A 115 4.130 -5.720 2.054 1.00 0.00 C ATOM 1730 C LEU A 115 3.527 -6.912 2.846 1.00 0.00 C ATOM 1731 O LEU A 115 2.317 -7.003 3.079 1.00 0.00 O ATOM 1732 CB LEU A 115 4.650 -6.236 0.684 1.00 0.00 C ATOM 1733 CG LEU A 115 5.205 -5.168 -0.305 1.00 0.00 C ATOM 1734 CD1 LEU A 115 5.894 -5.812 -1.511 1.00 0.00 C ATOM 1735 CD2 LEU A 115 4.098 -4.231 -0.794 1.00 0.00 C ATOM 0 H LEU A 115 6.116 -5.029 2.271 1.00 0.00 H new ATOM 0 HA LEU A 115 3.352 -4.971 1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.437 -6.966 0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 115 3.836 -6.766 0.190 1.00 0.00 H new ATOM 0 HG LEU A 115 5.943 -4.589 0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 115 6.267 -5.033 -2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.727 -6.426 -1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.180 -6.436 -2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.519 -3.498 -1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.331 -4.811 -1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 115 3.655 -3.716 0.058 1.00 0.00 H new ATOM 1747 N GLN A 116 4.426 -7.806 3.261 1.00 0.00 N ATOM 1748 CA GLN A 116 4.096 -9.064 3.958 1.00 0.00 C ATOM 1749 C GLN A 116 3.701 -8.837 5.424 1.00 0.00 C ATOM 1750 O GLN A 116 3.016 -9.669 6.023 1.00 0.00 O ATOM 1751 CB GLN A 116 5.292 -10.027 3.820 1.00 0.00 C ATOM 1752 CG GLN A 116 5.672 -10.301 2.336 1.00 0.00 C ATOM 1753 CD GLN A 116 5.791 -11.784 1.972 1.00 0.00 C ATOM 1754 OE1 GLN A 116 6.205 -12.608 2.779 1.00 0.00 O ATOM 1755 NE2 GLN A 116 5.404 -12.141 0.764 1.00 0.00 N ATOM 0 H GLN A 116 5.428 -7.679 3.122 1.00 0.00 H new ATOM 0 HA GLN A 116 3.217 -9.509 3.492 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.153 -9.608 4.340 1.00 0.00 H new ATOM 0 HB3 GLN A 116 5.052 -10.971 4.310 1.00 0.00 H new ATOM 0 HG2 GLN A 116 4.922 -9.841 1.692 1.00 0.00 H new ATOM 0 HG3 GLN A 116 6.621 -9.810 2.121 1.00 0.00 H new ATOM 0 HE21 GLN A 116 5.063 -11.437 0.109 1.00 0.00 H new ATOM 0 HE22 GLN A 116 5.446 -13.121 0.484 1.00 0.00 H new ATOM 1764 N ALA A 117 4.147 -7.699 5.991 1.00 0.00 N ATOM 1765 CA ALA A 117 3.733 -7.244 7.349 1.00 0.00 C ATOM 1766 C ALA A 117 2.183 -7.152 7.524 1.00 0.00 C ATOM 1767 O ALA A 117 1.692 -7.145 8.656 1.00 0.00 O ATOM 1768 CB ALA A 117 4.383 -5.894 7.692 1.00 0.00 C ATOM 0 H ALA A 117 4.801 -7.067 5.530 1.00 0.00 H new ATOM 0 HA ALA A 117 4.085 -8.007 8.044 1.00 0.00 H new ATOM 0 HB1 ALA A 117 4.067 -5.581 8.687 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.468 -5.997 7.671 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.075 -5.146 6.961 1.00 0.00 H new ATOM 1774 N HIS A 118 1.415 -7.083 6.404 1.00 0.00 N ATOM 1775 CA HIS A 118 -0.073 -7.107 6.469 1.00 0.00 C ATOM 1776 C HIS A 118 -0.711 -7.989 5.348 1.00 0.00 C ATOM 1777 O HIS A 118 -1.904 -7.845 5.039 1.00 0.00 O ATOM 1778 CB HIS A 118 -0.647 -5.655 6.436 1.00 0.00 C ATOM 1779 CG HIS A 118 -1.888 -5.497 7.280 1.00 0.00 C ATOM 1780 ND1 HIS A 118 -1.856 -5.060 8.584 1.00 0.00 N ATOM 1781 CD2 HIS A 118 -3.189 -5.769 7.020 1.00 0.00 C ATOM 1782 CE1 HIS A 118 -3.073 -5.070 9.084 1.00 0.00 C ATOM 1783 NE2 HIS A 118 -3.903 -5.497 8.160 1.00 0.00 N ATOM 0 H HIS A 118 1.793 -7.011 5.459 1.00 0.00 H new ATOM 0 HA HIS A 118 -0.344 -7.570 7.418 1.00 0.00 H new ATOM 0 HB2 HIS A 118 0.116 -4.960 6.786 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -0.877 -5.384 5.406 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -3.591 -6.133 6.086 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -3.344 -4.776 10.087 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -4.911 -5.608 8.271 1.00 0.00 H new ATOM 1792 N ALA A 119 0.062 -8.925 4.770 1.00 0.00 N ATOM 1793 CA ALA A 119 -0.473 -9.908 3.791 1.00 0.00 C ATOM 1794 C ALA A 119 0.184 -11.295 3.971 1.00 0.00 C ATOM 1795 O ALA A 119 0.913 -11.522 4.946 1.00 0.00 O ATOM 1796 CB ALA A 119 -0.289 -9.374 2.365 1.00 0.00 C ATOM 0 H ALA A 119 1.059 -9.027 4.959 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.540 -10.040 3.973 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -0.683 -10.098 1.652 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -0.825 -8.431 2.258 1.00 0.00 H new ATOM 0 HB3 ALA A 119 0.771 -9.213 2.171 1.00 0.00 H new ATOM 1802 N LEU A 120 -0.112 -12.229 3.043 1.00 0.00 N ATOM 1803 CA LEU A 120 0.394 -13.623 3.104 1.00 0.00 C ATOM 1804 C LEU A 120 1.950 -13.703 2.994 1.00 0.00 C ATOM 1805 O LEU A 120 2.583 -12.829 2.376 1.00 0.00 O ATOM 1806 CB LEU A 120 -0.328 -14.497 2.021 1.00 0.00 C ATOM 1807 CG LEU A 120 -0.302 -14.002 0.521 1.00 0.00 C ATOM 1808 CD1 LEU A 120 1.051 -14.269 -0.187 1.00 0.00 C ATOM 1809 CD2 LEU A 120 -1.471 -14.622 -0.286 1.00 0.00 C ATOM 0 H LEU A 120 -0.704 -12.043 2.234 1.00 0.00 H new ATOM 0 HA LEU A 120 0.155 -14.028 4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 120 0.113 -15.494 2.050 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.371 -14.601 2.319 1.00 0.00 H new ATOM 0 HG LEU A 120 -0.427 -12.920 0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 120 1.002 -13.906 -1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 120 1.848 -13.750 0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 120 1.255 -15.340 -0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -1.432 -14.266 -1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -1.385 -15.709 -0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -2.420 -14.328 0.163 1.00 0.00 H new ATOM 1821 N PRO A 121 2.599 -14.739 3.632 1.00 0.00 N ATOM 1822 CA PRO A 121 4.059 -14.971 3.498 1.00 0.00 C ATOM 1823 C PRO A 121 4.431 -15.647 2.149 1.00 0.00 C ATOM 1824 O PRO A 121 3.633 -16.404 1.586 1.00 0.00 O ATOM 1825 CB PRO A 121 4.400 -15.896 4.715 1.00 0.00 C ATOM 1826 CG PRO A 121 3.119 -16.032 5.507 1.00 0.00 C ATOM 1827 CD PRO A 121 1.992 -15.740 4.544 1.00 0.00 C ATOM 0 HA PRO A 121 4.624 -14.039 3.499 1.00 0.00 H new ATOM 0 HB2 PRO A 121 4.755 -16.870 4.378 1.00 0.00 H new ATOM 0 HB3 PRO A 121 5.192 -15.462 5.325 1.00 0.00 H new ATOM 0 HG2 PRO A 121 3.024 -17.035 5.924 1.00 0.00 H new ATOM 0 HG3 PRO A 121 3.104 -15.336 6.345 1.00 0.00 H new ATOM 0 HD2 PRO A 121 1.673 -16.635 4.010 1.00 0.00 H new ATOM 0 HD3 PRO A 121 1.114 -15.344 5.055 1.00 0.00 H new ATOM 1835 N VAL A 122 5.638 -15.354 1.627 1.00 0.00 N ATOM 1836 CA VAL A 122 6.187 -16.058 0.450 1.00 0.00 C ATOM 1837 C VAL A 122 7.220 -17.120 0.912 1.00 0.00 C ATOM 1838 O VAL A 122 8.202 -16.811 1.602 1.00 0.00 O ATOM 1839 CB VAL A 122 6.801 -15.055 -0.615 1.00 0.00 C ATOM 1840 CG1 VAL A 122 7.961 -14.201 -0.040 1.00 0.00 C ATOM 1841 CG2 VAL A 122 7.231 -15.804 -1.904 1.00 0.00 C ATOM 0 H VAL A 122 6.253 -14.633 2.003 1.00 0.00 H new ATOM 0 HA VAL A 122 5.369 -16.568 -0.058 1.00 0.00 H new ATOM 0 HB VAL A 122 6.009 -14.354 -0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 122 8.341 -13.534 -0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 122 7.596 -13.610 0.800 1.00 0.00 H new ATOM 0 HG13 VAL A 122 8.763 -14.857 0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 122 7.648 -15.092 -2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 122 7.983 -16.553 -1.656 1.00 0.00 H new ATOM 0 HG23 VAL A 122 6.364 -16.294 -2.346 1.00 0.00 H new ATOM 1851 N LEU A 123 6.945 -18.388 0.579 1.00 0.00 N ATOM 1852 CA LEU A 123 7.846 -19.516 0.865 1.00 0.00 C ATOM 1853 C LEU A 123 8.494 -20.016 -0.438 1.00 0.00 C ATOM 1854 O LEU A 123 7.802 -20.336 -1.411 1.00 0.00 O ATOM 1855 CB LEU A 123 7.087 -20.673 1.551 1.00 0.00 C ATOM 1856 CG LEU A 123 7.977 -21.883 1.996 1.00 0.00 C ATOM 1857 CD1 LEU A 123 9.042 -21.456 3.034 1.00 0.00 C ATOM 1858 CD2 LEU A 123 7.108 -23.040 2.518 1.00 0.00 C ATOM 0 H LEU A 123 6.087 -18.663 0.101 1.00 0.00 H new ATOM 0 HA LEU A 123 8.623 -19.166 1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 123 6.572 -20.279 2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 123 6.320 -21.038 0.868 1.00 0.00 H new ATOM 0 HG LEU A 123 8.515 -22.241 1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 123 9.640 -22.322 3.319 1.00 0.00 H new ATOM 0 HD12 LEU A 123 9.690 -20.695 2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 123 8.548 -21.050 3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 123 7.749 -23.868 2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 123 6.525 -22.700 3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 123 6.433 -23.373 1.729 1.00 0.00 H new ATOM 1870 N GLU A 124 9.828 -20.071 -0.444 1.00 0.00 N ATOM 1871 CA GLU A 124 10.605 -20.644 -1.562 1.00 0.00 C ATOM 1872 C GLU A 124 10.716 -22.185 -1.437 1.00 0.00 C ATOM 1873 O GLU A 124 10.488 -22.762 -0.364 1.00 0.00 O ATOM 1874 CB GLU A 124 12.030 -20.030 -1.594 1.00 0.00 C ATOM 1875 CG GLU A 124 12.874 -20.328 -0.332 1.00 0.00 C ATOM 1876 CD GLU A 124 14.308 -19.794 -0.420 1.00 0.00 C ATOM 1877 OE1 GLU A 124 15.160 -20.478 -1.029 1.00 0.00 O ATOM 1878 OE2 GLU A 124 14.582 -18.690 0.103 1.00 0.00 O ATOM 0 H GLU A 124 10.405 -19.722 0.321 1.00 0.00 H new ATOM 0 HA GLU A 124 10.080 -20.406 -2.487 1.00 0.00 H new ATOM 0 HB2 GLU A 124 12.558 -20.409 -2.469 1.00 0.00 H new ATOM 0 HB3 GLU A 124 11.946 -18.950 -1.715 1.00 0.00 H new ATOM 0 HG2 GLU A 124 12.383 -19.889 0.537 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.904 -21.405 -0.170 1.00 0.00 H new ATOM 1885 N HIS A 125 11.073 -22.839 -2.553 1.00 0.00 N ATOM 1886 CA HIS A 125 11.476 -24.258 -2.558 1.00 0.00 C ATOM 1887 C HIS A 125 12.998 -24.335 -2.297 1.00 0.00 C ATOM 1888 O HIS A 125 13.441 -24.829 -1.254 1.00 0.00 O ATOM 1889 CB HIS A 125 11.084 -24.921 -3.908 1.00 0.00 C ATOM 1890 CG HIS A 125 9.597 -24.872 -4.187 1.00 0.00 C ATOM 1891 ND1 HIS A 125 8.729 -25.880 -3.825 1.00 0.00 N ATOM 1892 CD2 HIS A 125 8.827 -23.915 -4.767 1.00 0.00 C ATOM 1893 CE1 HIS A 125 7.499 -25.547 -4.164 1.00 0.00 C ATOM 1894 NE2 HIS A 125 7.529 -24.363 -4.735 1.00 0.00 N ATOM 0 H HIS A 125 11.091 -22.403 -3.475 1.00 0.00 H new ATOM 0 HA HIS A 125 10.958 -24.806 -1.771 1.00 0.00 H new ATOM 0 HB2 HIS A 125 11.616 -24.422 -4.718 1.00 0.00 H new ATOM 0 HB3 HIS A 125 11.412 -25.960 -3.904 1.00 0.00 H new ATOM 0 HD2 HIS A 125 9.171 -22.977 -5.177 1.00 0.00 H new ATOM 0 HE1 HIS A 125 6.615 -26.146 -4.000 1.00 0.00 H new ATOM 0 HE2 HIS A 125 6.719 -23.859 -5.096 1.00 0.00 H new ATOM 1903 N HIS A 126 13.789 -23.820 -3.262 1.00 0.00 N ATOM 1904 CA HIS A 126 15.257 -23.635 -3.134 1.00 0.00 C ATOM 1905 C HIS A 126 15.661 -22.341 -3.880 1.00 0.00 C ATOM 1906 O HIS A 126 14.982 -21.945 -4.837 1.00 0.00 O ATOM 1907 CB HIS A 126 16.041 -24.847 -3.718 1.00 0.00 C ATOM 1908 CG HIS A 126 15.832 -26.162 -3.001 1.00 0.00 C ATOM 1909 ND1 HIS A 126 16.610 -26.577 -1.939 1.00 0.00 N ATOM 1910 CD2 HIS A 126 14.923 -27.152 -3.194 1.00 0.00 C ATOM 1911 CE1 HIS A 126 16.194 -27.756 -1.519 1.00 0.00 C ATOM 1912 NE2 HIS A 126 15.176 -28.126 -2.260 1.00 0.00 N ATOM 0 H HIS A 126 13.425 -23.516 -4.165 1.00 0.00 H new ATOM 0 HA HIS A 126 15.508 -23.560 -2.076 1.00 0.00 H new ATOM 0 HB2 HIS A 126 15.756 -24.973 -4.762 1.00 0.00 H new ATOM 0 HB3 HIS A 126 17.105 -24.610 -3.704 1.00 0.00 H new ATOM 0 HD2 HIS A 126 14.145 -27.170 -3.943 1.00 0.00 H new ATOM 0 HE1 HIS A 126 16.619 -28.321 -0.703 1.00 0.00 H new ATOM 0 HE2 HIS A 126 14.656 -28.998 -2.158 1.00 0.00 H new ATOM 1921 N HIS A 127 16.759 -21.687 -3.440 1.00 0.00 N ATOM 1922 CA HIS A 127 17.315 -20.503 -4.146 1.00 0.00 C ATOM 1923 C HIS A 127 17.800 -20.905 -5.567 1.00 0.00 C ATOM 1924 O HIS A 127 17.145 -20.615 -6.571 1.00 0.00 O ATOM 1925 CB HIS A 127 18.497 -19.864 -3.352 1.00 0.00 C ATOM 1926 CG HIS A 127 18.153 -19.353 -1.976 1.00 0.00 C ATOM 1927 ND1 HIS A 127 18.478 -20.027 -0.825 1.00 0.00 N ATOM 1928 CD2 HIS A 127 17.536 -18.214 -1.573 1.00 0.00 C ATOM 1929 CE1 HIS A 127 18.080 -19.337 0.221 1.00 0.00 C ATOM 1930 NE2 HIS A 127 17.505 -18.233 -0.200 1.00 0.00 N ATOM 0 H HIS A 127 17.278 -21.955 -2.604 1.00 0.00 H new ATOM 0 HA HIS A 127 16.518 -19.763 -4.226 1.00 0.00 H new ATOM 0 HB2 HIS A 127 19.291 -20.605 -3.257 1.00 0.00 H new ATOM 0 HB3 HIS A 127 18.900 -19.038 -3.937 1.00 0.00 H new ATOM 0 HD2 HIS A 127 17.143 -17.437 -2.212 1.00 0.00 H new ATOM 0 HE1 HIS A 127 18.205 -19.629 1.253 1.00 0.00 H new ATOM 0 HE2 HIS A 127 17.102 -17.509 0.395 1.00 0.00 H new ATOM 1939 N HIS A 128 18.943 -21.614 -5.601 1.00 0.00 N ATOM 1940 CA HIS A 128 19.597 -22.116 -6.827 1.00 0.00 C ATOM 1941 C HIS A 128 20.734 -23.083 -6.416 1.00 0.00 C ATOM 1942 O HIS A 128 21.915 -22.847 -6.690 1.00 0.00 O ATOM 1943 CB HIS A 128 20.092 -20.942 -7.739 1.00 0.00 C ATOM 1944 CG HIS A 128 20.745 -19.778 -7.019 1.00 0.00 C ATOM 1945 ND1 HIS A 128 20.188 -18.518 -6.973 1.00 0.00 N ATOM 1946 CD2 HIS A 128 21.914 -19.683 -6.338 1.00 0.00 C ATOM 1947 CE1 HIS A 128 20.983 -17.707 -6.305 1.00 0.00 C ATOM 1948 NE2 HIS A 128 22.035 -18.385 -5.907 1.00 0.00 N ATOM 0 H HIS A 128 19.453 -21.861 -4.753 1.00 0.00 H new ATOM 0 HA HIS A 128 18.878 -22.666 -7.434 1.00 0.00 H new ATOM 0 HB2 HIS A 128 20.803 -21.343 -8.461 1.00 0.00 H new ATOM 0 HB3 HIS A 128 19.241 -20.563 -8.305 1.00 0.00 H new ATOM 0 HD2 HIS A 128 22.620 -20.482 -6.166 1.00 0.00 H new ATOM 0 HE1 HIS A 128 20.800 -16.659 -6.116 1.00 0.00 H new ATOM 0 HE2 HIS A 128 22.814 -18.009 -5.366 1.00 0.00 H new ATOM 1957 N HIS A 129 20.325 -24.164 -5.723 1.00 0.00 N ATOM 1958 CA HIS A 129 21.222 -25.127 -5.038 1.00 0.00 C ATOM 1959 C HIS A 129 22.116 -24.430 -3.971 1.00 0.00 C ATOM 1960 O HIS A 129 21.662 -24.228 -2.836 1.00 0.00 O ATOM 1961 CB HIS A 129 22.046 -25.985 -6.043 1.00 0.00 C ATOM 1962 CG HIS A 129 21.242 -27.043 -6.739 1.00 0.00 C ATOM 1963 ND1 HIS A 129 20.577 -26.827 -7.920 1.00 0.00 N ATOM 1964 CD2 HIS A 129 20.987 -28.331 -6.403 1.00 0.00 C ATOM 1965 CE1 HIS A 129 19.944 -27.923 -8.279 1.00 0.00 C ATOM 1966 NE2 HIS A 129 20.176 -28.852 -7.380 1.00 0.00 N ATOM 0 H HIS A 129 19.338 -24.401 -5.619 1.00 0.00 H new ATOM 0 HA HIS A 129 20.583 -25.826 -4.498 1.00 0.00 H new ATOM 0 HB2 HIS A 129 22.488 -25.327 -6.791 1.00 0.00 H new ATOM 0 HB3 HIS A 129 22.870 -26.460 -5.510 1.00 0.00 H new ATOM 0 HD2 HIS A 129 21.353 -28.850 -5.530 1.00 0.00 H new ATOM 0 HE1 HIS A 129 19.336 -28.039 -9.164 1.00 0.00 H new ATOM 0 HE2 HIS A 129 19.813 -29.805 -7.404 1.00 0.00 H new ATOM 1975 N HIS A 130 23.349 -24.019 -4.367 1.00 0.00 N ATOM 1976 CA HIS A 130 24.377 -23.429 -3.464 1.00 0.00 C ATOM 1977 C HIS A 130 24.706 -24.365 -2.244 1.00 0.00 C ATOM 1978 O HIS A 130 25.585 -25.249 -2.383 1.00 0.00 O ATOM 1979 CB HIS A 130 23.959 -21.998 -3.018 1.00 0.00 C ATOM 1980 CG HIS A 130 25.004 -21.260 -2.210 1.00 0.00 C ATOM 1981 ND1 HIS A 130 25.037 -21.270 -0.831 1.00 0.00 N ATOM 1982 CD2 HIS A 130 26.055 -20.490 -2.592 1.00 0.00 C ATOM 1983 CE1 HIS A 130 26.050 -20.544 -0.404 1.00 0.00 C ATOM 1984 NE2 HIS A 130 26.677 -20.058 -1.449 1.00 0.00 N ATOM 1985 OXT HIS A 130 24.082 -24.225 -1.162 1.00 0.00 O ATOM 0 H HIS A 130 23.663 -24.088 -5.335 1.00 0.00 H new ATOM 0 HA HIS A 130 25.305 -23.340 -4.029 1.00 0.00 H new ATOM 0 HB2 HIS A 130 23.722 -21.410 -3.905 1.00 0.00 H new ATOM 0 HB3 HIS A 130 23.045 -22.068 -2.428 1.00 0.00 H new ATOM 0 HD2 HIS A 130 26.347 -20.261 -3.606 1.00 0.00 H new ATOM 0 HE1 HIS A 130 26.318 -20.377 0.629 1.00 0.00 H new ATOM 0 HE2 HIS A 130 27.498 -19.454 -1.416 1.00 0.00 H new TER 1994 HIS A 130